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

C22H26N6O — CID 44625519

IUPACN-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)
InChIKeySXWRNFZIFKCSFO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.49
Rot. Bonds5

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

N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625519) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625519
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29)
InChIKeySXWRNFZIFKCSFO-UHFFFAOYSA-N
XLogP2.49
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.49
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-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625519) is N-[5-[4-[(4-methylpiperazin-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-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CCN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is SXWRNFZIFKCSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26-11-13-27(14-12-26)15-16-5-7-17(8-6-16)19-3-2-4-20-23-22(25-28(19)20)24-21(29)18-9-10-18/h2-8,18H,9-15H2,1H3,(H,24,25,29).
What are the key properties of N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.49, 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-methylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).