N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine

C46H50N16O3 — CID 158390765

About N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine

N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine (PubChem CID 158390765) has the molecular formula C46H50N16O3 and a molecular weight of 875.01 g/mol. Its IUPAC name is N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine.

Molecular Properties

• Compound Name: N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine
• PubChem CID: 158390765
• Molecular Formula: C46H50N16O3
• Molecular Weight: 875.01 g/mol
• Exact Mass: 874.43
• IUPAC Name: N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine
• SMILES: Cc1cc2c(c(N)n1)CCC2N.Cc1cc2c(c(N)n1)CCC2NC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C23H24N8O.C14H13N5O2.C9H13N3/c1-13-8-18-17(22(24)25-13)5-6-19(18)27-23(32)20-12-31(29-28-20)11-16-10-30-9-15(14-2-3-14)4-7-21(30)26-16;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;1-5-4-7-6(9(11)12-5)2-3-8(7)10/h4,7-10,12,14,19H,2-3,5-6,11H2,1H3,(H2,24,25)(H,27,32);3-6,8-9H,1-2,7H2,(H,20,21);4,8H,2-3,10H2,1H3,(H2,11,12)
• InChIKey: GWXYGBNPUIMFGG-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 266.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.01
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine?

The IUPAC name of N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine (CID 158390765) is N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine.

What is the SMILES notation for N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine?

The canonical SMILES for N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine is Cc1cc2c(c(N)n1)CCC2N.Cc1cc2c(c(N)n1)CCC2NC(=O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine?

The InChIKey is GWXYGBNPUIMFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O.C14H13N5O2.C9H13N3/c1-13-8-18-17(22(24)25-13)5-6-19(18)27-23(32)20-12-31(29-28-20)11-16-10-30-9-15(14-2-3-14)4-7-21(30)26-16;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;1-5-4-7-6(9(11)12-5)2-3-8(7)10/h4,7-10,12,14,19H,2-3,5-6,11H2,1H3,(H2,24,25)(H,27,32);3-6,8-9H,1-2,7H2,(H,20,21);4,8H,2-3,10H2,1H3,(H2,11,12).

What are the key properties of N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine?

N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine has a molecular weight of 875.01 g/mol, XLogP of 5.02, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;3-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-1,5-diamine is sourced from PubChem (CID 158390765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).