N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C28H31N7O2 — CID 118122935

IUPACN-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1nccn1CCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C28H31N7O2/c1-19-29-14-18-33(19)15-11-20-12-16-34(17-13-20)27(37)23-9-5-21(6-10-23)24-3-2-4-25-30-28(32-35(24)25)31-26(36)22-7-8-22/h2-6,9-10,14,18,20,22H,7-8,11-13,15-17H2,1H3,(H,31,32,36)
InChIKeyUHEYMBPPDFQTCI-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.19
Rot. Bonds7

About N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 118122935) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID118122935
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1nccn1CCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C28H31N7O2/c1-19-29-14-18-33(19)15-11-20-12-16-34(17-13-20)27(37)23-9-5-21(6-10-23)24-3-2-4-25-30-28(32-35(24)25)31-26(36)22-7-8-22/h2-6,9-10,14,18,20,22H,7-8,11-13,15-17H2,1H3,(H,31,32,36)
InChIKeyUHEYMBPPDFQTCI-UHFFFAOYSA-N
XLogP4.19
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 118122935) is N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1nccn1CCC1CCN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UHEYMBPPDFQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-19-29-14-18-33(19)15-11-20-12-16-34(17-13-20)27(37)23-9-5-21(6-10-23)24-3-2-4-25-30-28(32-35(24)25)31-26(36)22-7-8-22/h2-6,9-10,14,18,20,22H,7-8,11-13,15-17H2,1H3,(H,31,32,36).
What are the key properties of N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118122935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).