N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H27N7O — CID 58374790

IUPACN-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(CN(C)Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)nn1C
InChIInChI=1S/C24H27N7O/c1-16-13-20(27-30(16)3)15-29(2)14-17-7-9-18(10-8-17)21-5-4-6-22-25-24(28-31(21)22)26-23(32)19-11-12-19/h4-10,13,19H,11-12,14-15H2,1-3H3,(H,26,28,32)
InChIKeyCYVZQCSPACHGGL-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.42
Rot. Bonds7

About N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374790) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374790
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1cc(CN(C)Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)nn1C
InChIInChI=1S/C24H27N7O/c1-16-13-20(27-30(16)3)15-29(2)14-17-7-9-18(10-8-17)21-5-4-6-22-25-24(28-31(21)22)26-23(32)19-11-12-19/h4-10,13,19H,11-12,14-15H2,1-3H3,(H,26,28,32)
InChIKeyCYVZQCSPACHGGL-UHFFFAOYSA-N
XLogP3.42
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374790) is N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1cc(CN(C)Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)nn1C.
What is the InChIKey of N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is CYVZQCSPACHGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16-13-20(27-30(16)3)15-29(2)14-17-7-9-18(10-8-17)21-5-4-6-22-25-24(28-31(21)22)26-23(32)19-11-12-19/h4-10,13,19H,11-12,14-15H2,1-3H3,(H,26,28,32).
What are the key properties of N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[(1,5-dimethylpyrazol-3-yl)methyl-methylamino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).