(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone

C23H23N5O2 — CID 110218897

IUPAC(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2nc(C)c(C(=O)N3CCCC3c3ccnc4cc(C)nn34)cc2c1
InChIInChI=1S/C23H23N5O2/c1-14-11-22-24-9-8-21(28(22)26-14)20-5-4-10-27(20)23(29)18-13-16-12-17(30-3)6-7-19(16)25-15(18)2/h6-9,11-13,20H,4-5,10H2,1-3H3
InChIKeyDLEAFHVJPFSGHR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.88
Rot. Bonds3

About (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone

(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone (PubChem CID 110218897) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
PubChem CID110218897
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2nc(C)c(C(=O)N3CCCC3c3ccnc4cc(C)nn34)cc2c1
InChIInChI=1S/C23H23N5O2/c1-14-11-22-24-9-8-21(28(22)26-14)20-5-4-10-27(20)23(29)18-13-16-12-17(30-3)6-7-19(16)25-15(18)2/h6-9,11-13,20H,4-5,10H2,1-3H3
InChIKeyDLEAFHVJPFSGHR-UHFFFAOYSA-N
XLogP3.88
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 92555874
6-(4-methoxyphenyl)-3-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 92555873
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
(6-methoxy-2-methylquinolin-3-yl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47029898
(2,6-dimethylquinolin-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685120
4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
CID 35787500

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone (CID 110218897) is (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone is COc1ccc2nc(C)c(C(=O)N3CCCC3c3ccnc4cc(C)nn34)cc2c1.
What is the InChIKey of (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DLEAFHVJPFSGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-11-22-24-9-8-21(28(22)26-14)20-5-4-10-27(20)23(29)18-13-16-12-17(30-3)6-7-19(16)25-15(18)2/h6-9,11-13,20H,4-5,10H2,1-3H3.
What are the key properties of (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone?
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110218897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).