[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

C158H161ClF4N30O7 — CID 173016530

IUPAC[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/2C27H28FN5O.C27H29N5O2.C26H26ClN5O.C26H26FN5O.C25H24FN5O/c1-4-25-22(8-5-19-6-10-26(29-2)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(3)14-16-33;1-3-25-22(8-5-19-6-10-26(29)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(4-2)14-16-33;1-4-24-22(8-5-19-6-10-26(28)30-18-19)21(11-12-29-24)20-7-9-23(25(17-20)34-3)27(33)32-15-13-31(2)14-16-32;2*1-3-24-21(7-4-18-5-9-25(28)30-17-18)20(10-11-29-24)19-6-8-22(23(27)16-19)26(33)32-14-12-31(2)13-15-32;1-2-23-20(6-3-17-4-8-24(27)30-16-17)19(9-10-29-23)18-5-7-21(22(26)15-18)25(32)31-13-11-28-12-14-31/h6-7,9-12,17-18H,4,13-16H2,1-3H3,(H,29,31);6-7,9-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,31);6-7,9-12,17-18H,4,13-16H2,1-3H3,(H2,28,30);2*5-6,8-11,16-17H,3,12-15H2,1-2H3,(H2,28,30);4-5,7-10,15-16,28H,2,11-14H2,1H3,(H2,27,30)
InChIKeyJTBPILZJQNNAKI-UHFFFAOYSA-N
MW2703.67 g/mol
LogP20.18
Rot. Bonds21

About [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 173016530) has the molecular formula C158H161ClF4N30O7 and a molecular weight of 2703.67 g/mol. Its IUPAC name is [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID173016530
Molecular FormulaC158H161ClF4N30O7
Molecular Weight2703.67 g/mol
Exact Mass2701.28
IUPAC Name[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/2C27H28FN5O.C27H29N5O2.C26H26ClN5O.C26H26FN5O.C25H24FN5O/c1-4-25-22(8-5-19-6-10-26(29-2)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(3)14-16-33;1-3-25-22(8-5-19-6-10-26(29)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(4-2)14-16-33;1-4-24-22(8-5-19-6-10-26(28)30-18-19)21(11-12-29-24)20-7-9-23(25(17-20)34-3)27(33)32-15-13-31(2)14-16-32;2*1-3-24-21(7-4-18-5-9-25(28)30-17-18)20(10-11-29-24)19-6-8-22(23(27)16-19)26(33)32-14-12-31(2)13-15-32;1-2-23-20(6-3-17-4-8-24(27)30-16-17)19(9-10-29-23)18-5-7-21(22(26)15-18)25(32)31-13-11-28-12-14-31/h6-7,9-12,17-18H,4,13-16H2,1-3H3,(H,29,31);6-7,9-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,31);6-7,9-12,17-18H,4,13-16H2,1-3H3,(H2,28,30);2*5-6,8-11,16-17H,3,12-15H2,1-2H3,(H2,28,30);4-5,7-10,15-16,28H,2,11-14H2,1H3,(H2,27,30)
InChIKeyJTBPILZJQNNAKI-UHFFFAOYSA-N
XLogP20.18
TPSA456.13 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.67
LogP ≤ 520.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone 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

[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone
CID 46932206
[4-[6-ethyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 53354252
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(4-butylpiperazin-1-yl)methanone
CID 58072672
[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 58235272
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(4-butylpiperazin-1-yl)methanone
CID 53353761
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 53354249
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 58072834
2-[4-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorobenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 58072858
[4-[2-ethyl-3-[2-(6-ethyl-3-pyridinyl)ethynyl]-4-pyridinyl]-2-fluorophenyl]-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 58235231
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 58072734
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58073075
4-[2-ethyl-3-[2-(6-ethyl-3-pyridinyl)ethynyl]-4-pyridinyl]-2-fluorobenzoic acid
CID 58235325

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (CID 173016530) is [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1.CCc1nccc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JTBPILZJQNNAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28FN5O.C27H29N5O2.C26H26ClN5O.C26H26FN5O.C25H24FN5O/c1-4-25-22(8-5-19-6-10-26(29-2)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(3)14-16-33;1-3-25-22(8-5-19-6-10-26(29)31-18-19)21(11-12-30-25)20-7-9-23(24(28)17-20)27(34)33-15-13-32(4-2)14-16-33;1-4-24-22(8-5-19-6-10-26(28)30-18-19)21(11-12-29-24)20-7-9-23(25(17-20)34-3)27(33)32-15-13-31(2)14-16-32;2*1-3-24-21(7-4-18-5-9-25(28)30-17-18)20(10-11-29-24)19-6-8-22(23(27)16-19)26(33)32-14-12-31(2)13-15-32;1-2-23-20(6-3-17-4-8-24(27)30-16-17)19(9-10-29-23)18-5-7-21(22(26)15-18)25(32)31-13-11-28-12-14-31/h6-7,9-12,17-18H,4,13-16H2,1-3H3,(H,29,31);6-7,9-12,17-18H,3-4,13-16H2,1-2H3,(H2,29,31);6-7,9-12,17-18H,4,13-16H2,1-3H3,(H2,28,30);2*5-6,8-11,16-17H,3,12-15H2,1-2H3,(H2,28,30);4-5,7-10,15-16,28H,2,11-14H2,1H3,(H2,27,30).
What are the key properties of [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 2703.67 g/mol, XLogP of 20.18, 21 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-chlorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-ethylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-fluorophenyl]-piperazin-1-ylmethanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-ethyl-4-pyridinyl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[2-ethyl-3-[2-[6-(methylamino)-3-pyridinyl]ethynyl]-4-pyridinyl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 173016530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).