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

C20H13ClF3N9O — CID 134609804

IUPACN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C20H13ClF3N9O/c1-11-14(9-13(21)18(29-11)33-26-6-7-27-33)30-19(34)12-10-28-32(17(12)20(22,23)24)16-3-2-8-31-15(16)4-5-25-31/h2-10H,1H3,(H,30,34)
InChIKeyWCNFMMOEUFAWKW-UHFFFAOYSA-N
MW487.83 g/mol
LogP3.73
Rot. Bonds4

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

N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609804) has the molecular formula C20H13ClF3N9O and a molecular weight of 487.83 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609804
Molecular FormulaC20H13ClF3N9O
Molecular Weight487.83 g/mol
Exact Mass487.09
IUPAC NameN-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C20H13ClF3N9O/c1-11-14(9-13(21)18(29-11)33-26-6-7-27-33)30-19(34)12-10-28-32(17(12)20(22,23)24)16-3-2-8-31-15(16)4-5-25-31/h2-10H,1H3,(H,30,34)
InChIKeyWCNFMMOEUFAWKW-UHFFFAOYSA-N
XLogP3.73
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609804) is N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(-n2nccn2)c(Cl)cc1NC(=O)c1cnn(-c2cccn3nccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WCNFMMOEUFAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N9O/c1-11-14(9-13(21)18(29-11)33-26-6-7-27-33)30-19(34)12-10-28-32(17(12)20(22,23)24)16-3-2-8-31-15(16)4-5-25-31/h2-10H,1H3,(H,30,34).
What are the key properties of N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 487.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).