N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

C22H16ClN7O — CID 138595191

IUPACN-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H16ClN7O/c1-14-5-4-8-21(26-14)30-19(15-9-10-20-24-13-25-29(20)12-15)11-18(28-30)22(31)27-17-7-3-2-6-16(17)23/h2-13H,1H3,(H,27,31)
InChIKeyWCGCXGJOKYPBGN-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.19
Rot. Bonds4

About N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide

N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (PubChem CID 138595191) has the molecular formula C22H16ClN7O and a molecular weight of 429.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
PubChem CID138595191
Molecular FormulaC22H16ClN7O
Molecular Weight429.87 g/mol
Exact Mass429.11
IUPAC NameN-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H16ClN7O/c1-14-5-4-8-21(26-14)30-19(15-9-10-20-24-13-25-29(20)12-15)11-18(28-30)22(31)27-17-7-3-2-6-16(17)23/h2-13H,1H3,(H,27,31)
InChIKeyWCGCXGJOKYPBGN-UHFFFAOYSA-N
XLogP4.19
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (CID 138595191) is N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The InChIKey is WCGCXGJOKYPBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN7O/c1-14-5-4-8-21(26-14)30-19(15-9-10-20-24-13-25-29(20)12-15)11-18(28-30)22(31)27-17-7-3-2-6-16(17)23/h2-13H,1H3,(H,27,31).
What are the key properties of N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138595191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).