N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H13ClF3N7O2 — CID 171616255

IUPACN-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C(F)(F)F
InChIInChI=1S/C22H13ClF3N7O2/c23-15-11-13(4-5-16(15)32-10-2-7-28-32)30-21(35)14-12-29-33(19(14)22(24,25)26)17-3-1-9-31-18(34)6-8-27-20(17)31/h1-12H,(H,30,35)
InChIKeyBIPIMJXUTBDDDU-UHFFFAOYSA-N
MW499.84 g/mol
LogP3.99
Rot. Bonds4

About N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 171616255) has the molecular formula C22H13ClF3N7O2 and a molecular weight of 499.84 g/mol. Its IUPAC name is N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID171616255
Molecular FormulaC22H13ClF3N7O2
Molecular Weight499.84 g/mol
Exact Mass499.08
IUPAC NameN-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C(F)(F)F
InChIInChI=1S/C22H13ClF3N7O2/c23-15-11-13(4-5-16(15)32-10-2-7-28-32)30-21(35)14-12-29-33(19(14)22(24,25)26)17-3-1-9-31-18(34)6-8-27-20(17)31/h1-12H,(H,30,35)
InChIKeyBIPIMJXUTBDDDU-UHFFFAOYSA-N
XLogP3.99
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-N-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 171616258
N-[3-chloro-4-(triazol-1-yl)phenyl]-1-isoquinolin-8-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609939
1-(7-fluoro-6-oxoquinolizin-1-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877829
N-[3-chloro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610070
N-[3-chloro-4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 137277273
1-(1-benzofuran-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609869
N-(3,4-dichlorophenyl)-1-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134093988
1-(1H-indol-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 168877782
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822481
1-[1-(azetidin-3-yl)isoquinolin-4-yl]-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609754
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
1-(2-oxo-1H-quinolin-5-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 175432579

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 171616255) is N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cnn(-c2cccn3c(=O)ccnc23)c1C(F)(F)F.
What is the InChIKey of N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BIPIMJXUTBDDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N7O2/c23-15-11-13(4-5-16(15)32-10-2-7-28-32)30-21(35)14-12-29-33(19(14)22(24,25)26)17-3-1-9-31-18(34)6-8-27-20(17)31/h1-12H,(H,30,35).
What are the key properties of N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 499.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrazol-1-ylphenyl)-1-(4-oxopyrido[1,2-a]pyrimidin-9-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171616255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).