(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide

C145H133N31O8 — CID 157368789

IUPAC(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc(N3CCOCC3)nc2C)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3cnccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3nc(C)ccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3ncccc3c2)n1
InChIInChI=1S/C31H33N7O3.C29H26N6O2.C29H26N6O.2C28H24N6O/c1-19-29(20(2)34-31(33-19)38-14-16-41-17-15-38)24-9-12-27(36-30(40)21(3)32-4)35-25(24)10-6-22-7-11-26-23(18-22)8-13-28(39)37(26)5;1-18-28(35-16-6-5-7-26(35)31-18)22-11-14-25(33-29(37)19(2)30-3)32-23(22)12-8-20-9-13-24-21(17-20)10-15-27(36)34(24)4;1-18-8-11-22-17-21(9-13-24(22)31-18)10-14-25-23(12-15-26(33-25)34-29(36)20(3)30-4)28-19(2)32-27-7-5-6-16-35(27)28;1-18-27(34-16-5-4-8-26(34)31-18)22-11-14-25(33-28(35)19(2)29-3)32-24(22)13-10-20-9-12-23-21(17-20)7-6-15-30-23;1-18-27(34-15-5-4-6-26(34)31-18)23-10-12-25(33-28(35)19(2)29-3)32-24(23)11-8-20-7-9-22-17-30-14-13-21(22)16-20/h7-9,11-13,18,21,32H,14-17H2,1-5H3,(H,35,36,40);5-7,9-11,13-17,19,30H,1-4H3,(H,32,33,37);5-9,11-13,15-17,20,30H,1-4H3,(H,33,34,36);4-9,11-12,14-17,19,29H,1-3H3,(H,32,33,35);4-7,9-10,12-17,19,29H,1-3H3,(H,32,33,35)/t21-;19-;20-;2*19-/m00000/s1
InChIKeyBJMTVYRBRNBEAT-USQVWZQYSA-N
MW2437.87 g/mol
LogP19.20
Rot. Bonds21

About (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide

(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide (PubChem CID 157368789) has the molecular formula C145H133N31O8 and a molecular weight of 2437.87 g/mol. Its IUPAC name is (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide
PubChem CID157368789
Molecular FormulaC145H133N31O8
Molecular Weight2437.87 g/mol
Exact Mass2436.10
IUPAC Name(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc(N3CCOCC3)nc2C)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3cnccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3nc(C)ccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3ncccc3c2)n1
InChIInChI=1S/C31H33N7O3.C29H26N6O2.C29H26N6O.2C28H24N6O/c1-19-29(20(2)34-31(33-19)38-14-16-41-17-15-38)24-9-12-27(36-30(40)21(3)32-4)35-25(24)10-6-22-7-11-26-23(18-22)8-13-28(39)37(26)5;1-18-28(35-16-6-5-7-26(35)31-18)22-11-14-25(33-29(37)19(2)30-3)32-23(22)12-8-20-9-13-24-21(17-20)10-15-27(36)34(24)4;1-18-8-11-22-17-21(9-13-24(22)31-18)10-14-25-23(12-15-26(33-25)34-29(36)20(3)30-4)28-19(2)32-27-7-5-6-16-35(27)28;1-18-27(34-16-5-4-8-26(34)31-18)22-11-14-25(33-28(35)19(2)29-3)32-24(22)13-10-20-9-12-23-21(17-20)7-6-15-30-23;1-18-27(34-15-5-4-6-26(34)31-18)23-10-12-25(33-28(35)19(2)29-3)32-24(23)11-8-20-7-9-22-17-30-14-13-21(22)16-20/h7-9,11-13,18,21,32H,14-17H2,1-5H3,(H,35,36,40);5-7,9-11,13-17,19,30H,1-4H3,(H,32,33,37);5-9,11-13,15-17,20,30H,1-4H3,(H,33,34,36);4-9,11-12,14-17,19,29H,1-3H3,(H,32,33,35);4-7,9-10,12-17,19,29H,1-3H3,(H,32,33,35)/t21-;19-;20-;2*19-/m00000/s1
InChIKeyBJMTVYRBRNBEAT-USQVWZQYSA-N
XLogP19.20
TPSA460.22 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002437.87
LogP ≤ 519.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[2-[[(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)amino]methyl]-5-[4-[[(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)amino]methyl]-3-(morpholin-4-ylmethyl)phenyl]phenyl]piperazine-1-carboxylate
CID 138721151
N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide
CID 138721401
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
3-[2-(6-aminopyrazin-2-yl)ethynyl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrazin-2-ylethynyl)benzamide;4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 158557844
bis(3-[2-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide);3-[2-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethynyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 158900225
N-cyclohexyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;4-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 159075862
[4-[3-[2-(2-Amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 159199580
4-[6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine;4-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-yl]morpholine;4-[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine;4-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]morpholine
CID 159447942
3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-(3-methylphenyl)benzamide;3-[2-(8-amino-3-ethylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159724371
methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[4-(trifluoromethyl)isoquinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 160341303
N-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374360
2-[(3-Fluorophenyl)methyl]-7-methylimidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(2-morpholin-4-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(3-morpholin-4-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(3-phenylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[[2-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
CID 167602390

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide?
The IUPAC name of (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide (CID 157368789) is (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide.
What is the SMILES notation for (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide?
The canonical SMILES for (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide is CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc(N3CCOCC3)nc2C)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3cnccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3nc(C)ccc3c2)n1.CN[C@@H](C)C(=O)Nc1ccc(-c2c(C)nc3ccccn23)c(C#Cc2ccc3ncccc3c2)n1.
What is the InChIKey of (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide?
The InChIKey is BJMTVYRBRNBEAT-USQVWZQYSA-N. The full InChI is InChI=1S/C31H33N7O3.C29H26N6O2.C29H26N6O.2C28H24N6O/c1-19-29(20(2)34-31(33-19)38-14-16-41-17-15-38)24-9-12-27(36-30(40)21(3)32-4)35-25(24)10-6-22-7-11-26-23(18-22)8-13-28(39)37(26)5;1-18-28(35-16-6-5-7-26(35)31-18)22-11-14-25(33-29(37)19(2)30-3)32-23(22)12-8-20-9-13-24-21(17-20)10-15-27(36)34(24)4;1-18-8-11-22-17-21(9-13-24(22)31-18)10-14-25-23(12-15-26(33-25)34-29(36)20(3)30-4)28-19(2)32-27-7-5-6-16-35(27)28;1-18-27(34-16-5-4-8-26(34)31-18)22-11-14-25(33-28(35)19(2)29-3)32-24(22)13-10-20-9-12-23-21(17-20)7-6-15-30-23;1-18-27(34-15-5-4-6-26(34)31-18)23-10-12-25(33-28(35)19(2)29-3)32-24(23)11-8-20-7-9-22-17-30-14-13-21(22)16-20/h7-9,11-13,18,21,32H,14-17H2,1-5H3,(H,35,36,40);5-7,9-11,13-17,19,30H,1-4H3,(H,32,33,37);5-9,11-13,15-17,20,30H,1-4H3,(H,33,34,36);4-9,11-12,14-17,19,29H,1-3H3,(H,32,33,35);4-7,9-10,12-17,19,29H,1-3H3,(H,32,33,35)/t21-;19-;20-;2*19-/m00000/s1.
What are the key properties of (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide?
(2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide has a molecular weight of 2437.87 g/mol, XLogP of 19.20, 21 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]-2-(methylamino)propanamide;(2S)-N-[6-(2-isoquinolin-6-ylethynyl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(1-methyl-2-oxoquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[2-(2-methylquinolin-6-yl)ethynyl]-2-pyridinyl]propanamide;(2S)-2-(methylamino)-N-[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-quinolin-6-ylethynyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 157368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).