5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C26H26N6O3 — CID 42480683

IUPAC5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C3CC3)n2)c1
InChIInChI=1S/C26H26N6O3/c1-34-19-8-9-23(35-2)20(15-19)22-11-14-29-26(31-22)32-24(17-6-7-17)21(16-30-32)25(33)28-13-10-18-5-3-4-12-27-18/h3-5,8-9,11-12,14-17H,6-7,10,13H2,1-2H3,(H,28,33)
InChIKeyQATUMJMPONIDSP-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.59
Rot. Bonds9

About 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42480683) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42480683
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C3CC3)n2)c1
InChIInChI=1S/C26H26N6O3/c1-34-19-8-9-23(35-2)20(15-19)22-11-14-29-26(31-22)32-24(17-6-7-17)21(16-30-32)25(33)28-13-10-18-5-3-4-12-27-18/h3-5,8-9,11-12,14-17H,6-7,10,13H2,1-2H3,(H,28,33)
InChIKeyQATUMJMPONIDSP-UHFFFAOYSA-N
XLogP3.59
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42171058
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-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
[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-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 26358958
ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate
CID 42167362
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 42430643
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42247667

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42480683) is 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCc4ccccn4)c3C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is QATUMJMPONIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-34-19-8-9-23(35-2)20(15-19)22-11-14-29-26(31-22)32-24(17-6-7-17)21(16-30-32)25(33)28-13-10-18-5-3-4-12-27-18/h3-5,8-9,11-12,14-17H,6-7,10,13H2,1-2H3,(H,28,33).
What are the key properties of 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).