2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone

C23H18N4O — CID 158243670

IUPAC2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
SMILESCc1cccc(CC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1
InChIInChI=1S/C23H18N4O/c1-14-3-2-4-18(26-14)11-22(28)21-10-16-9-17-13-25-23(15-5-7-24-8-6-15)19(17)12-20(16)27-21/h2-9,12H,10-11,13H2,1H3
InChIKeyKRYPSOYSNFJIGZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.58
Rot. Bonds4

About 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone

2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone (PubChem CID 158243670) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
PubChem CID158243670
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone
SMILESCc1cccc(CC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1
InChIInChI=1S/C23H18N4O/c1-14-3-2-4-18(26-14)11-22(28)21-10-16-9-17-13-25-23(15-5-7-24-8-6-15)19(17)12-20(16)27-21/h2-9,12H,10-11,13H2,1H3
InChIKeyKRYPSOYSNFJIGZ-UHFFFAOYSA-N
XLogP3.58
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone with MolForge

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Related Compounds

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
benzyl-oxo-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)phosphanium
CID 159538962
1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68885000
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
CID 131847838
CID 131847838
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
(NZ)-N-[2-phenyl-1-(1-pyridin-4-yl-3,5-dihydrocyclopenta[f]isoindol-6-yl)ethylidene]hydroxylamine
CID 172957272
1-(4-methylcyclohepta-1,6-dien-1-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 142169119
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
1-(6-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-2-one
CID 135036167
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68898650

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone (CID 158243670) is 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone is Cc1cccc(CC(=O)C2=Nc3cc4c(cc3C2)CN=C4c2ccncc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone?
The InChIKey is KRYPSOYSNFJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-14-3-2-4-18(26-14)11-22(28)21-10-16-9-17-13-25-23(15-5-7-24-8-6-15)19(17)12-20(16)27-21/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone?
2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone has a molecular weight of 366.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]indol-2-yl)ethanone is sourced from PubChem (CID 158243670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).