N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea

C144H177N33O13 — CID 157191406

IUPACN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1.CCCC(Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1C.CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1.CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NC)c(OC)c2)n1)c1ccccn1.CCNC(=O)Nc1ccc(-c2cncc(NC(CCOC)c3ccccc3)n2)cc1OC.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](COC)c3ccccc3)n2)cc1OC
InChIInChI=1S/C26H34N6O.C25H31N5O2.C24H30N6O2.C24H29N5O3.C23H27N5O3.C22H26N6O2/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27;1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2;1-5-8-19(18-9-7-12-27-16(18)3)28-23-15-25-14-21(29-23)17-10-11-20(22(13-17)32-4)30-24(31)26-6-2;1-4-26-24(30)29-20-11-10-18(14-22(20)32-3)21-15-25-16-23(28-21)27-19(12-13-31-2)17-8-6-5-7-9-17;1-4-25-23(29)28-18-11-10-17(12-21(18)31-3)19-13-24-14-22(26-19)27-20(15-30-2)16-8-6-5-7-9-16;1-4-7-17(16-8-5-6-11-25-16)26-21-14-24-13-19(27-21)15-9-10-18(20(12-15)30-3)28-22(29)23-2/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32);7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31);7,9-15,19H,5-6,8H2,1-4H3,(H,28,29)(H2,26,30,31);5-11,14-16,19H,4,12-13H2,1-3H3,(H,27,28)(H2,26,29,30);5-14,20H,4,15H2,1-3H3,(H,26,27)(H2,25,28,29);5-6,8-14,17H,4,7H2,1-3H3,(H,26,27)(H2,23,28,29)/t;;;;20-;17-/m....00/s1
InChIKeyAPSWKBOQVQLOLW-NPYWMRLFSA-N
MW2578.22 g/mol
LogP27.99
Rot. Bonds57

About N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea

N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea (PubChem CID 157191406) has the molecular formula C144H177N33O13 and a molecular weight of 2578.22 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea
PubChem CID157191406
Molecular FormulaC144H177N33O13
Molecular Weight2578.22 g/mol
Exact Mass2576.42
IUPAC NameN-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea
SMILESCCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1.CCCC(Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1C.CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1.CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NC)c(OC)c2)n1)c1ccccn1.CCNC(=O)Nc1ccc(-c2cncc(NC(CCOC)c3ccccc3)n2)cc1OC.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](COC)c3ccccc3)n2)cc1OC
InChIInChI=1S/C26H34N6O.C25H31N5O2.C24H30N6O2.C24H29N5O3.C23H27N5O3.C22H26N6O2/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27;1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2;1-5-8-19(18-9-7-12-27-16(18)3)28-23-15-25-14-21(29-23)17-10-11-20(22(13-17)32-4)30-24(31)26-6-2;1-4-26-24(30)29-20-11-10-18(14-22(20)32-3)21-15-25-16-23(28-21)27-19(12-13-31-2)17-8-6-5-7-9-17;1-4-25-23(29)28-18-11-10-17(12-21(18)31-3)19-13-24-14-22(26-19)27-20(15-30-2)16-8-6-5-7-9-16;1-4-7-17(16-8-5-6-11-25-16)26-21-14-24-13-19(27-21)15-9-10-18(20(12-15)30-3)28-22(29)23-2/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32);7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31);7,9-15,19H,5-6,8H2,1-4H3,(H,28,29)(H2,26,30,31);5-11,14-16,19H,4,12-13H2,1-3H3,(H,27,28)(H2,26,29,30);5-14,20H,4,15H2,1-3H3,(H,26,27)(H2,25,28,29);5-6,8-14,17H,4,7H2,1-3H3,(H,26,27)(H2,23,28,29)/t;;;;20-;17-/m....00/s1
InChIKeyAPSWKBOQVQLOLW-NPYWMRLFSA-N
XLogP27.99
TPSA590.91 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds57
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.22
LogP ≤ 527.99
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea 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

3-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyanilino]-N-methylisoquinoline-6-carboxamide
CID 73388855
3-(3-methoxyphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide
CID 118453908
3-(3-methoxyphenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-pyridin-3-ylpropyl)quinoxaline-6-carboxamide
CID 118463576
N-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11270979
4-fluoro-3-[2-[2-[[6-[[[4-fluoro-3-methoxy-5-[2-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-5-yl]ethyl]benzoyl]amino]methyl]-2-methoxy-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 130206695
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide;4-fluoro-3-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 157277456
methane;bis(3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide);bis(3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide);bis(3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide)
CID 157997737
N-[3-(2-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-methyl-6-morpholin-4-yl-5-oxopyrazin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyrazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyrazin-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158136018
3-[2-(1-aminoisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide;3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methylbenzamide;3-[2-(8-amino-1,7-naphthyridin-5-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 158495133
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-(1,1-difluoro-2-hydroxyethyl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]benzamide;2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 158776131
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158779723

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea?
The IUPAC name of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea (CID 157191406) is N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea.
What is the SMILES notation for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea?
The canonical SMILES for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea is CCCC(Nc1cncc(-c2ccc(C(=O)NCCCCCN)c(C)c2)n1)c1cccnc1.CCCC(Nc1cncc(-c2ccc(NC(=O)NCC)c(OC)c2)n1)c1cccnc1C.CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)cnc1C)c1ccccc1.CCC[C@H](Nc1cncc(-c2ccc(NC(=O)NC)c(OC)c2)n1)c1ccccn1.CCNC(=O)Nc1ccc(-c2cncc(NC(CCOC)c3ccccc3)n2)cc1OC.CCNC(=O)Nc1ccc(-c2cncc(N[C@@H](COC)c3ccccc3)n2)cc1OC.
What is the InChIKey of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea?
The InChIKey is APSWKBOQVQLOLW-NPYWMRLFSA-N. The full InChI is InChI=1S/C26H34N6O.C25H31N5O2.C24H30N6O2.C24H29N5O3.C23H27N5O3.C22H26N6O2/c1-3-8-23(21-9-7-13-28-16-21)31-25-18-29-17-24(32-25)20-10-11-22(19(2)15-20)26(33)30-14-6-4-5-12-27;1-5-10-20(18-11-8-7-9-12-18)28-24-17(3)27-16-22(29-24)19-13-14-21(23(15-19)32-4)30-25(31)26-6-2;1-5-8-19(18-9-7-12-27-16(18)3)28-23-15-25-14-21(29-23)17-10-11-20(22(13-17)32-4)30-24(31)26-6-2;1-4-26-24(30)29-20-11-10-18(14-22(20)32-3)21-15-25-16-23(28-21)27-19(12-13-31-2)17-8-6-5-7-9-17;1-4-25-23(29)28-18-11-10-17(12-21(18)31-3)19-13-24-14-22(26-19)27-20(15-30-2)16-8-6-5-7-9-16;1-4-7-17(16-8-5-6-11-25-16)26-21-14-24-13-19(27-21)15-9-10-18(20(12-15)30-3)28-22(29)23-2/h7,9-11,13,15-18,23H,3-6,8,12,14,27H2,1-2H3,(H,30,33)(H,31,32);7-9,11-16,20H,5-6,10H2,1-4H3,(H,28,29)(H2,26,30,31);7,9-15,19H,5-6,8H2,1-4H3,(H,28,29)(H2,26,30,31);5-11,14-16,19H,4,12-13H2,1-3H3,(H,27,28)(H2,26,29,30);5-14,20H,4,15H2,1-3H3,(H,26,27)(H2,25,28,29);5-6,8-14,17H,4,7H2,1-3H3,(H,26,27)(H2,23,28,29)/t;;;;20-;17-/m....00/s1.
What are the key properties of N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea?
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea has a molecular weight of 2578.22 g/mol, XLogP of 27.99, 57 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide;1-ethyl-3-[2-methoxy-4-[6-[[(1R)-2-methoxy-1-phenylethyl]amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[(3-methoxy-1-phenylpropyl)amino]pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[5-methyl-6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]urea;1-ethyl-3-[2-methoxy-4-[6-[1-(2-methyl-3-pyridinyl)butylamino]pyrazin-2-yl]phenyl]urea;1-[2-methoxy-4-[6-[[(1S)-1-pyridin-2-ylbutyl]amino]pyrazin-2-yl]phenyl]-3-methylurea is sourced from PubChem (CID 157191406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).