[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C19H20N4O — CID 141164806

IUPAC[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(CCc2ccccc2)c2ncccc12)N1CCCC1
InChIInChI=1S/C19H20N4O/c24-19(22-12-4-5-13-22)17-16-9-6-11-20-18(16)23(21-17)14-10-15-7-2-1-3-8-15/h1-3,6-9,11H,4-5,10,12-14H2
InChIKeyPUHLLXGDBJGLDD-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.91
Rot. Bonds4

About [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 141164806) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID141164806
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(CCc2ccccc2)c2ncccc12)N1CCCC1
InChIInChI=1S/C19H20N4O/c24-19(22-12-4-5-13-22)17-16-9-6-11-20-18(16)23(21-17)14-10-15-7-2-1-3-8-15/h1-3,6-9,11H,4-5,10,12-14H2
InChIKeyPUHLLXGDBJGLDD-UHFFFAOYSA-N
XLogP2.91
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166624112
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798452
N-(pyridin-3-ylmethyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 50821337
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
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
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 141164806) is [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nn(CCc2ccccc2)c2ncccc12)N1CCCC1.
What is the InChIKey of [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PUHLLXGDBJGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(22-12-4-5-13-22)17-16-9-6-11-20-18(16)23(21-17)14-10-15-7-2-1-3-8-15/h1-3,6-9,11H,4-5,10,12-14H2.
What are the key properties of [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)pyrazolo[5,4-b]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 141164806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).