(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one

C23H26N2O — CID 161007273

IUPAC(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one
SMILESC[C@@H](CC(=O)Cc1cc2c(cn1)C(C1CCCC1)=NC2)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-16(17-7-3-2-4-8-17)11-21(26)13-20-12-19-14-25-23(22(19)15-24-20)18-9-5-6-10-18/h2-4,7-8,12,15-16,18H,5-6,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyTWQYSBGZDLAPLV-INIZCTEOSA-N
MW346.47 g/mol
LogP4.88
Rot. Bonds6

About (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one

(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one (PubChem CID 161007273) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one
PubChem CID161007273
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one
SMILESC[C@@H](CC(=O)Cc1cc2c(cn1)C(C1CCCC1)=NC2)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-16(17-7-3-2-4-8-17)11-21(26)13-20-12-19-14-25-23(22(19)15-24-20)18-9-5-6-10-18/h2-4,7-8,12,15-16,18H,5-6,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyTWQYSBGZDLAPLV-INIZCTEOSA-N
XLogP4.88
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one with MolForge

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Related Compounds

methyl 2-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]cyclopropane-1-carboxylate
CID 157252177
(4S)-1-[3-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 159286907
(4S)-1-[3-(2-fluoro-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 148560025
4-[[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrrolo[3,4-c]pyridin-3-yl]oxy]cyclohexane-1-carbonitrile
CID 158743985
(4S)-4-(4-chlorophenyl)-1-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one
CID 153116290
(4R,5S)-5-hydroxy-1-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)-6-methyl-4-phenylheptan-2-one
CID 160650270
(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one
CID 160718753
4-(3,4-difluorophenyl)-1-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one
CID 160987942
(4S)-5-methoxy-1-[3-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 162027089
(4S)-5-hydroxy-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 147938915
(4S)-5-(cyclopropylmethoxy)-1-[3-(difluoromethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 158050820
(4S)-1-[3-ethoxy-4-(hydroxymethyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 160768328

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one?
The IUPAC name of (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one (CID 161007273) is (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one.
What is the SMILES notation for (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one?
The canonical SMILES for (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one is C[C@@H](CC(=O)Cc1cc2c(cn1)C(C1CCCC1)=NC2)c1ccccc1.
What is the InChIKey of (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one?
The InChIKey is TWQYSBGZDLAPLV-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16(17-7-3-2-4-8-17)11-21(26)13-20-12-19-14-25-23(22(19)15-24-20)18-9-5-6-10-18/h2-4,7-8,12,15-16,18H,5-6,9-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one?
(4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one has a molecular weight of 346.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-cyclopentyl-1H-pyrrolo[3,4-c]pyridin-6-yl)-4-phenylpentan-2-one is sourced from PubChem (CID 161007273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).