4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

C23H28N4O2 — CID 166316478

IUPAC4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)C)c2[nH]c(=O)cc(C(=O)N3CCCC(Cc4ccccc4)C3)c12
InChIInChI=1S/C23H28N4O2/c1-15(2)27-22-21(16(3)25-27)19(13-20(28)24-22)23(29)26-11-7-10-18(14-26)12-17-8-5-4-6-9-17/h4-6,8-9,13,15,18H,7,10-12,14H2,1-3H3,(H,24,28)
InChIKeyBQKGMDBHKRZFOH-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.71
Rot. Bonds4

About 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one

4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 166316478) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID166316478
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C(C)C)c2[nH]c(=O)cc(C(=O)N3CCCC(Cc4ccccc4)C3)c12
InChIInChI=1S/C23H28N4O2/c1-15(2)27-22-21(16(3)25-27)19(13-20(28)24-22)23(29)26-11-7-10-18(14-26)12-17-8-5-4-6-9-17/h4-6,8-9,13,15,18H,7,10-12,14H2,1-3H3,(H,24,28)
InChIKeyBQKGMDBHKRZFOH-UHFFFAOYSA-N
XLogP3.71
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
(3-benzylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 58724571
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009872
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
CID 120989216

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 166316478) is 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C(C)C)c2[nH]c(=O)cc(C(=O)N3CCCC(Cc4ccccc4)C3)c12.
What is the InChIKey of 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BQKGMDBHKRZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15(2)27-22-21(16(3)25-27)19(13-20(28)24-22)23(29)26-11-7-10-18(14-26)12-17-8-5-4-6-9-17/h4-6,8-9,13,15,18H,7,10-12,14H2,1-3H3,(H,24,28).
What are the key properties of 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 392.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylpiperidine-1-carbonyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 166316478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).