1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C25H30N6O2 — CID 110264662

IUPAC1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12
InChIInChI=1S/C25H30N6O2/c1-16(2)26-23-19-10-11-20(27-24(19)29-28-23)21-8-4-13-31(21)25(33)18-7-3-6-17(14-18)15-30-12-5-9-22(30)32/h3,6-7,10-11,14,16,21H,4-5,8-9,12-13,15H2,1-2H3,(H2,26,27,28,29)
InChIKeyMZOMUIKTEDFVKT-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.88
Rot. Bonds6

About 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 110264662) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID110264662
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12
InChIInChI=1S/C25H30N6O2/c1-16(2)26-23-19-10-11-20(27-24(19)29-28-23)21-8-4-13-31(21)25(33)18-7-3-6-17(14-18)15-30-12-5-9-22(30)32/h3,6-7,10-11,14,16,21H,4-5,8-9,12-13,15H2,1-2H3,(H2,26,27,28,29)
InChIKeyMZOMUIKTEDFVKT-UHFFFAOYSA-N
XLogP3.88
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[3-[(2S)-2-[2-(4-chlorophenyl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129457476
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
CID 95834479
1-[[3-[(2R)-2-[6-[(3-chlorophenyl)methyl]pyrazin-2-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 129458256
(4-methyl-1,3-oxazol-5-yl)-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 110090982
1-[[3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17419740
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120741192
2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
CID 110264640
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
1-[[3-[4-acetyl-2-(4-propan-2-yloxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 110151677
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 110264662) is 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is CC(C)Nc1n[nH]c2nc(C3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12.
What is the InChIKey of 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is MZOMUIKTEDFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(2)26-23-19-10-11-20(27-24(19)29-28-23)21-8-4-13-31(21)25(33)18-7-3-6-17(14-18)15-30-12-5-9-22(30)32/h3,6-7,10-11,14,16,21H,4-5,8-9,12-13,15H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 446.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 110264662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).