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

C48H42N10O2 — CID 159163321

IUPACN-[(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
SMILESCc1cccc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1
InChIInChI=1S/2C24H21N5O/c2*1-14-4-3-5-20(27-14)15(2)28-24(30)22-11-17-10-18-13-26-23(16-6-8-25-9-7-16)19(18)12-21(17)29-22/h2*3-10,12,15H,11,13H2,1-2H3,(H,28,30)/t2*15-/m10/s1
InChIKeyKKTOPDJKCTYQBQ-ZWZQDMJTSA-N
MW790.93 g/mol
LogP7.28
Rot. Bonds8

About 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

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 (PubChem CID 159163321) has the molecular formula C48H42N10O2 and a molecular weight of 790.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID159163321
Molecular FormulaC48H42N10O2
Molecular Weight790.93 g/mol
Exact Mass790.35
IUPAC NameN-[(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
SMILESCc1cccc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1
InChIInChI=1S/2C24H21N5O/c2*1-14-4-3-5-20(27-14)15(2)28-24(30)22-11-17-10-18-13-26-23(16-6-8-25-9-7-16)19(18)12-21(17)29-22/h2*3-10,12,15H,11,13H2,1-2H3,(H,28,30)/t2*15-/m10/s1
InChIKeyKKTOPDJKCTYQBQ-ZWZQDMJTSA-N
XLogP7.28
TPSA159.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

7-pyridin-4-yl-N-[(1R)-1-pyridin-2-ylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 157296115
2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
CID 158243670
N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 160510862
7-pyridin-4-yl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 158275877
7-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
CID 159355926
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
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
CID 97110787
2-methoxy-N-[1-(6-methyl-2-pyridinyl)ethyl]pyridine-4-carboxamide
CID 122564636
3-(2-methylpyrazol-3-yl)-N-[1-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 122568703
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1-trityl-7H-pyrrolo[2,3-f]indazole-6-carboxamide
CID 160608826

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1.Cc1cccc([C@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1.
What is the InChIKey of 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?
The InChIKey is KKTOPDJKCTYQBQ-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C24H21N5O/c2*1-14-4-3-5-20(27-14)15(2)28-24(30)22-11-17-10-18-13-26-23(16-6-8-25-9-7-16)19(18)12-21(17)29-22/h2*3-10,12,15H,11,13H2,1-2H3,(H,28,30)/t2*15-/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 790.93 g/mol, XLogP of 7.28, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159163321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).