7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

C25H19N5O — CID 159355923

IUPAC7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccc(C#N)nc1)c1ccccc1
InChIInChI=1S/C25H19N5O/c1-15(16-5-3-2-4-6-16)29-25(31)23-10-18-9-19-14-28-24(21(19)11-22(18)30-23)17-7-8-20(12-26)27-13-17/h2-9,11,13,15H,10,14H2,1H3,(H,29,31)/t15-/m1/s1
InChIKeyJKHXQBBWHUTXPZ-OAHLLOKOSA-N
MW405.46 g/mol
LogP3.81
Rot. Bonds4

About 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (PubChem CID 159355923) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

Molecular Properties

Compound Name7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
PubChem CID159355923
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESC[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccc(C#N)nc1)c1ccccc1
InChIInChI=1S/C25H19N5O/c1-15(16-5-3-2-4-6-16)29-25(31)23-10-18-9-19-14-28-24(21(19)11-22(18)30-23)17-7-8-20(12-26)27-13-17/h2-9,11,13,15H,10,14H2,1H3,(H,29,31)/t15-/m1/s1
InChIKeyJKHXQBBWHUTXPZ-OAHLLOKOSA-N
XLogP3.81
TPSA90.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159355926
7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 157296115
7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 158275877
N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159163321
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159459998
N-[(1R)-1-(3-chlorophenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide;N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide
CID 160653911
N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034986
N-[(1R)-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 158141525
2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 146878312
2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
CID 158243670
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141125127

Frequently Asked Questions

What is the IUPAC name of 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The IUPAC name of 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (CID 159355923) is 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.
What is the SMILES notation for 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The canonical SMILES for 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is C[C@@H](NC(=O)C1=Nc2cc3c(cc2C1)CN=C3c1ccc(C#N)nc1)c1ccccc1.
What is the InChIKey of 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The InChIKey is JKHXQBBWHUTXPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H19N5O/c1-15(16-5-3-2-4-6-16)29-25(31)23-10-18-9-19-14-28-24(21(19)11-22(18)30-23)17-7-8-20(12-26)27-13-17/h2-9,11,13,15H,10,14H2,1H3,(H,29,31)/t15-/m1/s1.
What are the key properties of 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyano-3-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is sourced from PubChem (CID 159355923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).