5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

C22H26N4O — CID 159612758

IUPAC5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ncc(CC4CCC4)cc3C)cn2)ccc1=O
InChIInChI=1S/C22H26N4O/c1-3-9-25-15-20(7-8-21(25)27)26-14-19(13-24-26)22-16(2)10-18(12-23-22)11-17-5-4-6-17/h7-8,10,12-15,17H,3-6,9,11H2,1-2H3
InChIKeyVJGAAZITXGNZGB-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.16
Rot. Bonds6

About 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 159612758) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID159612758
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ncc(CC4CCC4)cc3C)cn2)ccc1=O
InChIInChI=1S/C22H26N4O/c1-3-9-25-15-20(7-8-21(25)27)26-14-19(13-24-26)22-16(2)10-18(12-23-22)11-17-5-4-6-17/h7-8,10,12-15,17H,3-6,9,11H2,1-2H3
InChIKeyVJGAAZITXGNZGB-UHFFFAOYSA-N
XLogP4.16
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339051
5-[4-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339053
5-[4-[2-[(1-methylcyclopropyl)methyl]pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-(2-methylpropyl)pyridin-2-one;5-[4-[4-methyl-6-(oxan-4-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[4-methyl-6-(oxetan-3-ylmethyl)-3-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one;1-(2-methylpropyl)-5-[4-[2-(oxan-4-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]pyridin-2-one;5-[4-[2-(oxetan-3-ylmethyl)pyrimidin-5-yl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 158010339
5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339033
5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339040
5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65080429
5-[(2E)-2-[1-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]prop-2-enylidene]hydrazinyl]-1-propylpyridin-2-one
CID 172936833
5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 161173675
4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
CID 115054052
5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65091016
5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
CID 54863769
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one (CID 159612758) is 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ncc(CC4CCC4)cc3C)cn2)ccc1=O.
What is the InChIKey of 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is VJGAAZITXGNZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-9-25-15-20(7-8-21(25)27)26-14-19(13-24-26)22-16(2)10-18(12-23-22)11-17-5-4-6-17/h7-8,10,12-15,17H,3-6,9,11H2,1-2H3.
What are the key properties of 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 362.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(cyclobutylmethyl)-3-methyl-2-pyridinyl]pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 159612758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).