5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C24H21FN6O2 — CID 42321394

IUPAC5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)n2)cc1F
InChIInChI=1S/C24H21FN6O2/c1-33-21-7-6-17(11-19(21)25)20-8-10-27-24(30-20)31-22(16-4-5-16)18(14-29-31)23(32)28-13-15-3-2-9-26-12-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,32)
InChIKeyMNJUQYHJJHAOPL-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.68
Rot. Bonds7

About 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42321394) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42321394
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)n2)cc1F
InChIInChI=1S/C24H21FN6O2/c1-33-21-7-6-17(11-19(21)25)20-8-10-27-24(30-20)31-22(16-4-5-16)18(14-29-31)23(32)28-13-15-3-2-9-26-12-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,32)
InChIKeyMNJUQYHJJHAOPL-UHFFFAOYSA-N
XLogP3.68
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]nicotinamide
CID 2810251
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168994
5-[1-(Tert-butoxycarbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 3240935
5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
2,6-difluoro-N-[3-[3-[2-(3-methoxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528925
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 56835923
N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555956

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 42321394) is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C3CC3)n2)cc1F.
What is the InChIKey of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MNJUQYHJJHAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-33-21-7-6-17(11-19(21)25)20-8-10-27-24(30-20)31-22(16-4-5-16)18(14-29-31)23(32)28-13-15-3-2-9-26-12-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,28,32).
What are the key properties of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42321394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).