6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C24H23N5O3 — CID 92555874

IUPAC6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H]3c3ccnc4cc(C)nn34)c(=O)[nH]2)cc1
InChIInChI=1S/C24H23N5O3/c1-15-14-22-25-12-11-21(29(22)27-15)20-4-3-13-28(20)24(31)18-9-10-19(26-23(18)30)16-5-7-17(32-2)8-6-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyBCVKELWVWVHFOS-FQEVSTJZSA-N
MW429.48 g/mol
LogP3.38
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 92555874) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID92555874
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H]3c3ccnc4cc(C)nn34)c(=O)[nH]2)cc1
InChIInChI=1S/C24H23N5O3/c1-15-14-22-25-12-11-21(29(22)27-15)20-4-3-13-28(20)24(31)18-9-10-19(26-23(18)30)16-5-7-17(32-2)8-6-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,26,30)/t20-/m0/s1
InChIKeyBCVKELWVWVHFOS-FQEVSTJZSA-N
XLogP3.38
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-3-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 92555873
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 110218897
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
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
3-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 124973567
2-(2,5-dimethoxyphenyl)-1-[(3R)-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 95797898
1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356855
[4-(3,4-dimethylphenyl)-2-methylpyrimidin-5-yl]-[(2S)-2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 118128107
(2,4-dimethoxyphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 3356690
(2,4-dimethoxyphenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7416925
3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 124592587

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 92555874) is 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3c3ccnc4cc(C)nn34)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is BCVKELWVWVHFOS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-14-22-25-12-11-21(29(22)27-15)20-4-3-13-28(20)24(31)18-9-10-19(26-23(18)30)16-5-7-17(32-2)8-6-16/h5-12,14,20H,3-4,13H2,1-2H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 429.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 92555874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).