7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

C17H17N5O2 — CID 92567095

IUPAC7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCn1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-21-7-5-13(20-21)17(24)22-8-4-11(10-22)14-9-15-12(16(23)19-14)3-2-6-18-15/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyRVZDZNUXZKCQQX-NSHDSACASA-N
MW323.36 g/mol
LogP1.29
Rot. Bonds2

About 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one

7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (PubChem CID 92567095) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
PubChem CID92567095
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
SMILESCn1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1
InChIInChI=1S/C17H17N5O2/c1-21-7-5-13(20-21)17(24)22-8-4-11(10-22)14-9-15-12(16(23)19-14)3-2-6-18-15/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23)/t11-/m0/s1
InChIKeyRVZDZNUXZKCQQX-NSHDSACASA-N
XLogP1.29
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one with MolForge

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Related Compounds

7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
7-[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92571730
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326
7-(1-methylpiperidin-4-yl)-6H-1,6-naphthyridin-5-one
CID 22931147
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 164634122
7-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92611469
2-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136764031
7-[1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 110224108
7-[(3R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92597472
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92595370

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one (CID 92567095) is 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is Cn1ccc(C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)n1.
What is the InChIKey of 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
The InChIKey is RVZDZNUXZKCQQX-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21-7-5-13(20-21)17(24)22-8-4-11(10-22)14-9-15-12(16(23)19-14)3-2-6-18-15/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23)/t11-/m0/s1.
What are the key properties of 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one?
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one has a molecular weight of 323.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 92567095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).