1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide

C35H36N6O4 — CID 154200437

IUPAC1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C35H36N6O4/c1-24(42)41-16-7-12-32(41)35(44)40(17-14-27-20-37-30-11-6-5-10-28(27)30)22-33(43)36-15-13-26-19-38-31-21-39-34(18-29(26)31)45-23-25-8-3-2-4-9-25/h2-6,8-11,13,15,18-21,32,37-38H,7,12,14,16-17,22-23H2,1H3,(H,36,43)
InChIKeySPYWCXOFXBFGEX-UHFFFAOYSA-N
MW604.71 g/mol
LogP4.79
Rot. Bonds11

About 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 154200437) has the molecular formula C35H36N6O4 and a molecular weight of 604.71 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide
PubChem CID154200437
Molecular FormulaC35H36N6O4
Molecular Weight604.71 g/mol
Exact Mass604.28
IUPAC Name1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cnc(OCc3ccccc3)cc12
InChIInChI=1S/C35H36N6O4/c1-24(42)41-16-7-12-32(41)35(44)40(17-14-27-20-37-30-11-6-5-10-28(27)30)22-33(43)36-15-13-26-19-38-31-21-39-34(18-29(26)31)45-23-25-8-3-2-4-9-25/h2-6,8-11,13,15,18-21,32,37-38H,7,12,14,16-17,22-23H2,1H3,(H,36,43)
InChIKeySPYWCXOFXBFGEX-UHFFFAOYSA-N
XLogP4.79
TPSA123.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.71
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide
CID 70243576
1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 3493358
1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide
CID 154386184
2-acetamido-N-benzyl-4-methyl-N-[2-methyl-1-oxo-1-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]propan-2-yl]pentanamide
CID 154060778
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
1-O-benzyl 2-O-[2-(1H-indol-3-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 101244056
3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
CID 42657203
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 25425835
(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 25425837
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide (CID 154200437) is 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cnc(OCc3ccccc3)cc12.
What is the InChIKey of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is SPYWCXOFXBFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O4/c1-24(42)41-16-7-12-32(41)35(44)40(17-14-27-20-37-30-11-6-5-10-28(27)30)22-33(43)36-15-13-26-19-38-31-21-39-34(18-29(26)31)45-23-25-8-3-2-4-9-25/h2-6,8-11,13,15,18-21,32,37-38H,7,12,14,16-17,22-23H2,1H3,(H,36,43).
What are the key properties of 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 604.71 g/mol, XLogP of 4.79, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154200437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).