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

C22H15F2N7O — CID 138595117

IUPACN-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cccc(F)c3F)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H15F2N7O/c1-13-4-2-7-20(27-13)31-18(14-8-9-19-25-12-26-30(19)11-14)10-17(29-31)22(32)28-16-6-3-5-15(23)21(16)24/h2-12H,1H3,(H,28,32)
InChIKeyCSGRVJPCPXBDLT-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.82
Rot. Bonds4

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

N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (PubChem CID 138595117) has the molecular formula C22H15F2N7O and a molecular weight of 431.41 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
PubChem CID138595117
Molecular FormulaC22H15F2N7O
Molecular Weight431.41 g/mol
Exact Mass431.13
IUPAC NameN-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3cccc(F)c3F)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H15F2N7O/c1-13-4-2-7-20(27-13)31-18(14-8-9-19-25-12-26-30(19)11-14)10-17(29-31)22(32)28-16-6-3-5-15(23)21(16)24/h2-12H,1H3,(H,28,32)
InChIKeyCSGRVJPCPXBDLT-UHFFFAOYSA-N
XLogP3.82
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide (CID 138595117) is N-(2,3-difluorophenyl)-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-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3F)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
The InChIKey is CSGRVJPCPXBDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N7O/c1-13-4-2-7-20(27-13)31-18(14-8-9-19-25-12-26-30(19)11-14)10-17(29-31)22(32)28-16-6-3-5-15(23)21(16)24/h2-12H,1H3,(H,28,32).
What are the key properties of N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide?
N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138595117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).