5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide

C61H57ClN12O4 — CID 160727439

IUPAC5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide
SMILESCCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C31H29N7O.C30H28ClN5O3/c1-2-16-38-29(22-10-12-25(13-11-22)37-17-15-32-21-37)20-34-30(38)27(19-24-8-5-6-14-33-24)36-31(39)28-18-23-7-3-4-9-26(23)35-28;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28/h3-15,17-18,20-21,27,35H,2,16,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37)/t27-;25-/m00/s1
InChIKeyRTWXGPDYQTTZPQ-DAXPIPECSA-N
MW1057.66 g/mol
LogP11.17
Rot. Bonds16

About 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide

5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide (PubChem CID 160727439) has the molecular formula C61H57ClN12O4 and a molecular weight of 1057.66 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide
PubChem CID160727439
Molecular FormulaC61H57ClN12O4
Molecular Weight1057.66 g/mol
Exact Mass1056.43
IUPAC Name5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide
SMILESCCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C31H29N7O.C30H28ClN5O3/c1-2-16-38-29(22-10-12-25(13-11-22)37-17-15-32-21-37)20-34-30(38)27(19-24-8-5-6-14-33-24)36-31(39)28-18-23-7-3-4-9-26(23)35-28;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28/h3-15,17-18,20-21,27,35H,2,16,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37)/t27-;25-/m00/s1
InChIKeyRTWXGPDYQTTZPQ-DAXPIPECSA-N
XLogP11.17
TPSA178.84 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.66
LogP ≤ 511.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide
CID 54191036
N-[1-[5-(4-imidazol-1-ylphenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-nitro-1-benzofuran-2-yl)formamide
CID 57146437
N-[1-[1-ethyl-5-(4-imidazol-1-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-methoxy-1-benzofuran-2-yl)formamide;trihydrochloride
CID 173232040
N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide
CID 57028790
N-[1-(1-methylimidazol-2-yl)-2-phenylethyl]-1H-indole-2-carboxamide
CID 54006478
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508
5-chloro-N-[(2S)-1-[[2-[4-(6-chloropyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 87802394
5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide
CID 139939928
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide (CID 160727439) is 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide is CCCn1c(-c2ccc(-n3ccnc3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2ccccc2[nH]1.Cn1c(-c2ccc(N3CCOCC3)cc2)cnc1[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is RTWXGPDYQTTZPQ-DAXPIPECSA-N. The full InChI is InChI=1S/C31H29N7O.C30H28ClN5O3/c1-2-16-38-29(22-10-12-25(13-11-22)37-17-15-32-21-37)20-34-30(38)27(19-24-8-5-6-14-33-24)36-31(39)28-18-23-7-3-4-9-26(23)35-28;1-35-26(20-5-8-24(9-6-20)36-12-14-38-15-13-36)19-33-29(35)25(18-23-4-2-3-11-32-23)34-30(37)28-17-21-16-22(31)7-10-27(21)39-28/h3-15,17-18,20-21,27,35H,2,16,19H2,1H3,(H,36,39);2-11,16-17,19,25H,12-15,18H2,1H3,(H,34,37)/t27-;25-/m00/s1.
What are the key properties of 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 1057.66 g/mol, XLogP of 11.17, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-2-pyridin-2-ylethyl]-1-benzofuran-2-carboxamide;N-[(1S)-1-[5-(4-imidazol-1-ylphenyl)-1-propylimidazol-2-yl]-2-pyridin-2-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 160727439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).