N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H10ClF3N10O — CID 134609857

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2nccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H10ClF3N10O/c19-12-7-10(8-24-15(12)32-26-3-4-27-32)29-17(33)11-9-28-31(14(11)18(20,21)22)16-13-1-2-25-30(13)6-5-23-16/h1-9H,(H,29,33)
InChIKeyNQEJPKYXNMOWKE-UHFFFAOYSA-N
MW474.79 g/mol
LogP2.82
Rot. Bonds4

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609857) has the molecular formula C18H10ClF3N10O and a molecular weight of 474.79 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609857
Molecular FormulaC18H10ClF3N10O
Molecular Weight474.79 g/mol
Exact Mass474.07
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2nccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H10ClF3N10O/c19-12-7-10(8-24-15(12)32-26-3-4-27-32)29-17(33)11-9-28-31(14(11)18(20,21)22)16-13-1-2-25-30(13)6-5-23-16/h1-9H,(H,29,33)
InChIKeyNQEJPKYXNMOWKE-UHFFFAOYSA-N
XLogP2.82
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610199
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
1-(1,2-benzothiazol-3-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609770
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
1-(3-chloro-2-pyridinyl)-N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285264
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
1-(1-benzofuran-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609869
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285197
[6-[4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamic acid
CID 134610250
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-dichloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285083
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279677
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610069

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609857) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2nccn3nccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NQEJPKYXNMOWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N10O/c19-12-7-10(8-24-15(12)32-26-3-4-27-32)29-17(33)11-9-28-31(14(11)18(20,21)22)16-13-1-2-25-30(13)6-5-23-16/h1-9H,(H,29,33).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 474.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).