(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

C24H23N5O — CID 166624112

IUPAC(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C24H23N5O/c30-24(28-14-11-19(16-28)15-20-9-4-5-12-25-20)22-21-10-6-13-26-23(21)29(27-22)17-18-7-2-1-3-8-18/h1-10,12-13,19H,11,14-17H2
InChIKeyPUKYOGUGWFDXIP-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.58
Rot. Bonds5

About (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 166624112) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID166624112
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C24H23N5O/c30-24(28-14-11-19(16-28)15-20-9-4-5-12-25-20)22-21-10-6-13-26-23(21)29(27-22)17-18-7-2-1-3-8-18/h1-10,12-13,19H,11,14-17H2
InChIKeyPUKYOGUGWFDXIP-UHFFFAOYSA-N
XLogP3.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 141164806
5-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146041099
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methanone
CID 163313482
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-8a-ethyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040386
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 166617141
5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
2-benzyl-4-[3-(methylamino)piperidine-1-carbonyl]phthalazin-1-one
CID 119491082
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 166624112) is (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1nn(Cc2ccccc2)c2ncccc12)N1CCC(Cc2ccccn2)C1.
What is the InChIKey of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PUKYOGUGWFDXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(28-14-11-19(16-28)15-20-9-4-5-12-25-20)22-21-10-6-13-26-23(21)29(27-22)17-18-7-2-1-3-8-18/h1-10,12-13,19H,11,14-17H2.
What are the key properties of (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone?
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).