5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C24H17F3N8O2 — CID 171616258

IUPAC5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)c(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C1CC1
InChIInChI=1S/C24H17F3N8O2/c25-24(26,27)17-12-15(5-6-18(17)35-29-9-10-30-35)32-23(37)16-13-31-34(21(16)14-3-4-14)19-2-1-11-33-20(36)7-8-28-22(19)33/h1-2,5-14H,3-4H2,(H,32,37)
InChIKeyRRXYEARNPJQYLD-UHFFFAOYSA-N
MW506.45 g/mol
LogP3.61
Rot. Bonds5

About 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 171616258) has the molecular formula C24H17F3N8O2 and a molecular weight of 506.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID171616258
Molecular FormulaC24H17F3N8O2
Molecular Weight506.45 g/mol
Exact Mass506.14
IUPAC Name5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2nccn2)c(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C1CC1
InChIInChI=1S/C24H17F3N8O2/c25-24(26,27)17-12-15(5-6-18(17)35-29-9-10-30-35)32-23(37)16-13-31-34(21(16)14-3-4-14)19-2-1-11-33-20(36)7-8-28-22(19)33/h1-2,5-14H,3-4H2,(H,32,37)
InChIKeyRRXYEARNPJQYLD-UHFFFAOYSA-N
XLogP3.61
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171616255
5-cyclopropyl-1-(2-oxo-1H-benzo[cd]indol-6-yl)-N-[6-(tetrazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
CID 176652881
5-cyclopropyl-N-(3-pyrazol-1-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55765982
1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877829
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55608984
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
5-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
N-(5-acetamido-2-methoxyphenyl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 112819212
ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
CID 22268014
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-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 171616258) is 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccc(-n2nccn2)c(C(F)(F)F)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RRXYEARNPJQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N8O2/c25-24(26,27)17-12-15(5-6-18(17)35-29-9-10-30-35)32-23(37)16-13-31-34(21(16)14-3-4-14)19-2-1-11-33-20(36)7-8-28-22(19)33/h1-2,5-14H,3-4H2,(H,32,37).
What are the key properties of 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 506.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 171616258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).