5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide

C22H23N5O2 — CID 100906748

IUPAC5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCc3cc4c([nH]c3=O)CCC4)c2C2CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-5-9-17(10-6-13)27-20(14-7-8-14)19(25-26-27)22(29)23-12-16-11-15-3-2-4-18(15)24-21(16)28/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,23,29)(H,24,28)
InChIKeyZYLUAKPYBTXYBI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.56
Rot. Bonds5

About 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide

5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide (PubChem CID 100906748) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide
PubChem CID100906748
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCc3cc4c([nH]c3=O)CCC4)c2C2CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-5-9-17(10-6-13)27-20(14-7-8-14)19(25-26-27)22(29)23-12-16-11-15-3-2-4-18(15)24-21(16)28/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,23,29)(H,24,28)
InChIKeyZYLUAKPYBTXYBI-UHFFFAOYSA-N
XLogP2.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide (CID 100906748) is 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCc3cc4c([nH]c3=O)CCC4)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is ZYLUAKPYBTXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-5-9-17(10-6-13)27-20(14-7-8-14)19(25-26-27)22(29)23-12-16-11-15-3-2-4-18(15)24-21(16)28/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,23,29)(H,24,28).
What are the key properties of 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 100906748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).