3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20F2N8O — CID 146381287

IUPAC3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cncc(-n2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(C(F)F)n2)c1
InChIInChI=1S/C21H20F2N8O/c1-12(2)30-11-25-28-20(30)16-5-4-6-17(26-16)27-21(32)15-10-31(29-18(15)19(22)23)14-7-13(3)8-24-9-14/h4-12,19H,1-3H3,(H,26,27,32)
InChIKeyBSIKFDYQYRZKIL-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.00
Rot. Bonds6

About 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide

3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381287) has the molecular formula C21H20F2N8O and a molecular weight of 438.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381287
Molecular FormulaC21H20F2N8O
Molecular Weight438.44 g/mol
Exact Mass438.17
IUPAC Name3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cncc(-n2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(C(F)F)n2)c1
InChIInChI=1S/C21H20F2N8O/c1-12(2)30-11-25-28-20(30)16-5-4-6-17(26-16)27-21(32)15-10-31(29-18(15)19(22)23)14-7-13(3)8-24-9-14/h4-12,19H,1-3H3,(H,26,27,32)
InChIKeyBSIKFDYQYRZKIL-UHFFFAOYSA-N
XLogP4.00
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146382061
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyrimidin-5-ylbenzene-1,3-dicarboxamide
CID 135347726
1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-4-ylbenzene-1,3-dicarboxamide
CID 135347720
3-N-(1,3-oxazol-5-yl)-1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 153449821
5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 146431033
N-[2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 135348154
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-2-carboxamide
CID 135347714

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381287) is 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1cncc(-n2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(C(F)F)n2)c1.
What is the InChIKey of 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is BSIKFDYQYRZKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8O/c1-12(2)30-11-25-28-20(30)16-5-4-6-17(26-16)27-21(32)15-10-31(29-18(15)19(22)23)14-7-13(3)8-24-9-14/h4-12,19H,1-3H3,(H,26,27,32).
What are the key properties of 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(5-methyl-3-pyridinyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).