2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

C18H18N6O2 — CID 136764031

IUPAC2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCn1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)n1
InChIInChI=1S/C18H18N6O2/c1-23-7-5-14(22-23)18(26)24-8-4-13(11-24)17-20-15(9-16(25)21-17)12-3-2-6-19-10-12/h2-3,5-7,9-10,13H,4,8,11H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyFROKTSUHKGWNCA-ZDUSSCGKSA-N
MW350.38 g/mol
LogP1.20
Rot. Bonds3

About 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136764031) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID136764031
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
SMILESCn1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)n1
InChIInChI=1S/C18H18N6O2/c1-23-7-5-14(22-23)18(26)24-8-4-13(11-24)17-20-15(9-16(25)21-17)12-3-2-6-19-10-12/h2-3,5-7,9-10,13H,4,8,11H2,1H3,(H,20,21,25)/t13-/m0/s1
InChIKeyFROKTSUHKGWNCA-ZDUSSCGKSA-N
XLogP1.20
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763974
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681608
2-[(3S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673800
2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763573
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850813
2-[(3S)-1-[2-(2,6-dimethoxyphenoxy)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850440
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816122
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136816133
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
2-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881629

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 136764031) is 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is Cn1ccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)n1.
What is the InChIKey of 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is FROKTSUHKGWNCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-7-5-14(22-23)18(26)24-8-4-13(11-24)17-20-15(9-16(25)21-17)12-3-2-6-19-10-12/h2-3,5-7,9-10,13H,4,8,11H2,1H3,(H,20,21,25)/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?
2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 350.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).