[5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane

C83H99N21O7 — CID 158997285

About [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane

[5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane (PubChem CID 158997285) has the molecular formula C83H99N21O7 and a molecular weight of 1502.84 g/mol. Its IUPAC name is [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane.

Molecular Properties

• Compound Name: [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane
• PubChem CID: 158997285
• Molecular Formula: C83H99N21O7
• Molecular Weight: 1502.84 g/mol
• Exact Mass: 1501.80
• IUPAC Name: [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane
• SMILES: C.CCc1cc2c(cn1)N(C(=O)OC(C)(C)C)CC2.CCc1cc2ccn(C(=O)OC(C)(C)C)c2cn1.NCc1cc2c(cn1)CC=C2.NCc1cc2c(cn1)CCC2.NCc1cc2c(cn1)N(C(=O)c1cn(Cc3cn4cc(C5CC5)ccc4n3)nn1)CC2.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C22H22N8O.C14H13N5O2.C14H20N2O2.C14H18N2O2.C9H12N2.C9H10N2.CH4/c23-8-17-7-15-5-6-30(20(15)9-24-17)22(31)19-13-29(27-26-19)12-18-11-28-10-16(14-1-2-14)3-4-21(28)25-18;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;2*1-5-11-8-10-6-7-16(12(10)9-15-11)13(17)18-14(2,3)4;2*10-5-9-4-7-2-1-3-8(7)6-11-9;/h3-4,7,9-11,13-14H,1-2,5-6,8,12,23H2;3-6,8-9H,1-2,7H2,(H,20,21);8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;4,6H,1-3,5,10H2;1-2,4,6H,3,5,10H2;1H4
• InChIKey: JQWVUNCHLQAAHO-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 356.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1502.84
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane?

The IUPAC name of [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane (CID 158997285) is [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane.

What is the SMILES notation for [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane?

The canonical SMILES for [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane is C.CCc1cc2c(cn1)N(C(=O)OC(C)(C)C)CC2.CCc1cc2ccn(C(=O)OC(C)(C)C)c2cn1.NCc1cc2c(cn1)CC=C2.NCc1cc2c(cn1)CCC2.NCc1cc2c(cn1)N(C(=O)c1cn(Cc3cn4cc(C5CC5)ccc4n3)nn1)CC2.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.

What is the InChIKey of [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane?

The InChIKey is JQWVUNCHLQAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O.C14H13N5O2.C14H20N2O2.C14H18N2O2.C9H12N2.C9H10N2.CH4/c23-8-17-7-15-5-6-30(20(15)9-24-17)22(31)19-13-29(27-26-19)12-18-11-28-10-16(14-1-2-14)3-4-21(28)25-18;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;2*1-5-11-8-10-6-7-16(12(10)9-15-11)13(17)18-14(2,3)4;2*10-5-9-4-7-2-1-3-8(7)6-11-9;/h3-4,7,9-11,13-14H,1-2,5-6,8,12,23H2;3-6,8-9H,1-2,7H2,(H,20,21);8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;4,6H,1-3,5,10H2;1-2,4,6H,3,5,10H2;1H4.

What are the key properties of [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane?

[5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane has a molecular weight of 1502.84 g/mol, XLogP of 12.56, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(aminomethyl)-2,3-dihydropyrrolo[2,3-c]pyridin-1-yl]-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanone;tert-butyl 5-ethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 5-ethylpyrrolo[2,3-c]pyridine-1-carboxylate;7H-cyclopenta[c]pyridin-3-ylmethanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;6,7-dihydro-5H-cyclopenta[c]pyridin-3-ylmethanamine;methane is sourced from PubChem (CID 158997285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).