5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide

C25H26N6O4 — CID 26358958

IUPAC5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@@H](C)c4ccon4)c3C3CC3)n2)c1
InChIInChI=1S/C25H26N6O4/c1-15(20-10-12-35-29-20)30(2)24(32)19-14-27-31(23(19)16-5-6-16)25-26-11-9-21(28-25)18-13-17(33-3)7-8-22(18)34-4/h7-16H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyJTOAAQMWGPCNGG-HNNXBMFYSA-N
MW474.52 g/mol
LogP4.05
Rot. Bonds8

About 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 26358958) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID26358958
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@@H](C)c4ccon4)c3C3CC3)n2)c1
InChIInChI=1S/C25H26N6O4/c1-15(20-10-12-35-29-20)30(2)24(32)19-14-27-31(23(19)16-5-6-16)25-26-11-9-21(28-25)18-13-17(33-3)7-8-22(18)34-4/h7-16H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyJTOAAQMWGPCNGG-HNNXBMFYSA-N
XLogP4.05
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 42423261
[5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45248961
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2,2-dimethyloxan-4-yl)pyrazole-4-carboxamide
CID 45219720
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 42397350
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 42430643
5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
CID 42472961
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45182383
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172187
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26345059

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 26358958) is 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide is COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)[C@@H](C)c4ccon4)c3C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is JTOAAQMWGPCNGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15(20-10-12-35-29-20)30(2)24(32)19-14-27-31(23(19)16-5-6-16)25-26-11-9-21(28-25)18-13-17(33-3)7-8-22(18)34-4/h7-16H,5-6H2,1-4H3/t15-/m0/s1.
What are the key properties of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 26358958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).