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

C20H19BrN8O2 — CID 146382061

IUPAC1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cncc(Br)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C20H19BrN8O2/c1-12(2)28-11-23-26-18(28)16-5-4-6-17(24-16)25-19(30)15-10-29(27-20(15)31-3)14-7-13(21)8-22-9-14/h4-12H,1-3H3,(H,24,25,30)
InChIKeyZLPISXIDAPLXDW-UHFFFAOYSA-N
MW483.33 g/mol
LogP3.53
Rot. Bonds6

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

1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146382061) has the molecular formula C20H19BrN8O2 and a molecular weight of 483.33 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146382061
Molecular FormulaC20H19BrN8O2
Molecular Weight483.33 g/mol
Exact Mass482.08
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(-c2cncc(Br)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C20H19BrN8O2/c1-12(2)28-11-23-26-18(28)16-5-4-6-17(24-16)25-19(30)15-10-29(27-20(15)31-3)14-7-13(21)8-22-9-14/h4-12H,1-3H3,(H,24,25,30)
InChIKeyZLPISXIDAPLXDW-UHFFFAOYSA-N
XLogP3.53
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146381524
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381600
2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 156635533
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381743
5-chloro-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;5-chloro-2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 159133483
6-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146564833
7-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
CID 169227713
5-bromo-N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 135347773
5-[(5-bromo-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;hydrochloride
CID 146345591
N-[2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-5-carboxamide
CID 135348154

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 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) is 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(-c2cncc(Br)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is ZLPISXIDAPLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN8O2/c1-12(2)28-11-23-26-18(28)16-5-4-6-17(24-16)25-19(30)15-10-29(27-20(15)31-3)14-7-13(21)8-22-9-14/h4-12H,1-3H3,(H,24,25,30).
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide?
1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 483.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146382061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).