N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

C26H24N4O3 — CID 160510862

IUPACN-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESCOc1cc(OC)cc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)c1
InChIInChI=1S/C26H24N4O3/c1-15(17-9-20(32-2)12-21(10-17)33-3)29-26(31)24-11-18-8-19-14-28-25(16-4-6-27-7-5-16)22(19)13-23(18)30-24/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31)/t15-/m1/s1
InChIKeyQTAHWFWWTUPNIE-OAHLLOKOSA-N
MW440.50 g/mol
LogP3.96
Rot. Bonds6

About N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide

N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (PubChem CID 160510862) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
PubChem CID160510862
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide
SMILESCOc1cc(OC)cc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)c1
InChIInChI=1S/C26H24N4O3/c1-15(17-9-20(32-2)12-21(10-17)33-3)29-26(31)24-11-18-8-19-14-28-25(16-4-6-27-7-5-16)22(19)13-23(18)30-24/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31)/t15-/m1/s1
InChIKeyQTAHWFWWTUPNIE-OAHLLOKOSA-N
XLogP3.96
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide 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

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
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
2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
CID 158243670
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
N,6-di(propan-2-yl)-3H-indole-2-carboxamide
CID 158958831
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide (CID 160510862) is N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is COc1cc(OC)cc([C@@H](C)NC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)c1.
What is the InChIKey of N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
The InChIKey is QTAHWFWWTUPNIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-15(17-9-20(32-2)12-21(10-17)33-3)29-26(31)24-11-18-8-19-14-28-25(16-4-6-27-7-5-16)22(19)13-23(18)30-24/h4-10,12-13,15H,11,14H2,1-3H3,(H,29,31)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide?
N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]-7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indole-2-carboxamide is sourced from PubChem (CID 160510862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).