(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C24H30N6O3 — CID 167495360

IUPAC(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C2CCCC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C)n1)C2=O
InChIInChI=1S/C24H30N6O3/c1-15-14-33-24(32)30(15)21-10-6-9-20(27-21)29-13-18-17(23(29)31)11-22(26-19(18)12-25-2)28(3)16-7-4-5-8-16/h6,9-11,15-16,25H,4-5,7-8,12-14H2,1-3H3/t15-/m0/s1
InChIKeyQAPUXUSKTBLFTG-HNNXBMFYSA-N
MW450.54 g/mol
LogP3.08
Rot. Bonds6

About (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 167495360) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID167495360
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCNCc1nc(N(C)C2CCCC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C)n1)C2=O
InChIInChI=1S/C24H30N6O3/c1-15-14-33-24(32)30(15)21-10-6-9-20(27-21)29-13-18-17(23(29)31)11-22(26-19(18)12-25-2)28(3)16-7-4-5-8-16/h6,9-11,15-16,25H,4-5,7-8,12-14H2,1-3H3/t15-/m0/s1
InChIKeyQAPUXUSKTBLFTG-HNNXBMFYSA-N
XLogP3.08
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[6-[cyclopentyl(methyl)amino]-2-[6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495092
(4S)-3-[6-[6-(azetidin-1-yl)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 146572082
(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 146593025
6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146634090
4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495101
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495388
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572106
6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146593029
2-[6-[4-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495384
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495222
4-[3-[6-[4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]benzonitrile
CID 167495402
2-[3-[6-[4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]benzonitrile
CID 167495127

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 167495360) is (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is CNCc1nc(N(C)C2CCCC2)cc2c1CN(c1cccc(N3C(=O)OC[C@@H]3C)n1)C2=O.
What is the InChIKey of (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is QAPUXUSKTBLFTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-15-14-33-24(32)30(15)21-10-6-9-20(27-21)29-13-18-17(23(29)31)11-22(26-19(18)12-25-2)28(3)16-7-4-5-8-16/h6,9-11,15-16,25H,4-5,7-8,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 450.54 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167495360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).