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

C23H26N6O2 — CID 44625852

IUPACN-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c1-16(30)28-13-11-27(12-14-28)15-17-5-7-18(8-6-17)20-3-2-4-21-24-23(26-29(20)21)25-22(31)19-9-10-19/h2-8,19H,9-15H2,1H3,(H,25,26,31)
InChIKeyXZLHQLMJMSXUMH-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.41
Rot. Bonds5

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

N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625852) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625852
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c1-16(30)28-13-11-27(12-14-28)15-17-5-7-18(8-6-17)20-3-2-4-21-24-23(26-29(20)21)25-22(31)19-9-10-19/h2-8,19H,9-15H2,1H3,(H,25,26,31)
InChIKeyXZLHQLMJMSXUMH-UHFFFAOYSA-N
XLogP2.41
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625852) is N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)N1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is XZLHQLMJMSXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16(30)28-13-11-27(12-14-28)15-17-5-7-18(8-6-17)20-3-2-4-21-24-23(26-29(20)21)25-22(31)19-9-10-19/h2-8,19H,9-15H2,1H3,(H,25,26,31).
What are the key properties of N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).