6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride

C92H81Cl3F2N26O7 — CID 160602930

About 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride

6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 160602930) has the molecular formula C92H81Cl3F2N26O7 and a molecular weight of 1807.19 g/mol. Its IUPAC name is 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• PubChem CID: 160602930
• Molecular Formula: C92H81Cl3F2N26O7
• Molecular Weight: 1807.19 g/mol
• Exact Mass: 1804.58
• IUPAC Name: 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride
• SMILES: C#CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)c1cn(Cc2cc(C#N)c3ncc(C4CC4)cc3c2)nn1.Cl.N#Cc1cc(CN=[N+]=[N-])cc2cc(C3CC3)cnc12.N#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.N#Cc1cc(Cn2cc(C(=O)O)nn2)cc2cc(C3CC3)cnc12.NCc1ncn2ccc(Cl)c(F)c12
• InChI: InChI=1S/C25H18ClFN8O.C21H21N5O2.C17H13N5O2.C14H11N5.C8H7ClFN3.C7H10O2.ClH/c26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28;1-21(2,3)28-20(27)18-12-26(25-24-18)11-13-6-15-8-17(14-4-5-14)10-23-19(15)16(7-13)9-22;18-6-13-4-10(8-22-9-15(17(23)24)20-21-22)3-12-5-14(11-1-2-11)7-19-16(12)13;15-6-12-4-9(7-18-19-16)3-11-5-13(10-1-2-10)8-17-14(11)12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5-6(8)9-7(2,3)4;/h3-7,9,12-13,15H,1-2,10-11H2,(H,30,36);6-8,10,12,14H,4-5,11H2,1-3H3;3-5,7,9,11H,1-2,8H2,(H,23,24);3-5,8,10H,1-2,7H2;1-2,4H,3,11H2;1H,2-4H3;1H
• InChIKey: ZFJYEYGJDQININ-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 467.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.19
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The IUPAC name of 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride (CID 160602930) is 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride.

What is the SMILES notation for 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The canonical SMILES for 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride is C#CC(=O)OC(C)(C)C.CC(C)(C)OC(=O)c1cn(Cc2cc(C#N)c3ncc(C4CC4)cc3c2)nn1.Cl.N#Cc1cc(CN=[N+]=[N-])cc2cc(C3CC3)cnc12.N#Cc1cc(Cn2cc(C(=O)NCc3ncn4ccc(Cl)c(F)c34)nn2)cc2cc(C3CC3)cnc12.N#Cc1cc(Cn2cc(C(=O)O)nn2)cc2cc(C3CC3)cnc12.NCc1ncn2ccc(Cl)c(F)c12.

What is the InChIKey of 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

The InChIKey is ZFJYEYGJDQININ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN8O.C21H21N5O2.C17H13N5O2.C14H11N5.C8H7ClFN3.C7H10O2.ClH/c26-19-3-4-34-13-31-20(24(34)22(19)27)10-30-25(36)21-12-35(33-32-21)11-14-5-16-7-18(15-1-2-15)9-29-23(16)17(6-14)8-28;1-21(2,3)28-20(27)18-12-26(25-24-18)11-13-6-15-8-17(14-4-5-14)10-23-19(15)16(7-13)9-22;18-6-13-4-10(8-22-9-15(17(23)24)20-21-22)3-12-5-14(11-1-2-11)7-19-16(12)13;15-6-12-4-9(7-18-19-16)3-11-5-13(10-1-2-10)8-17-14(11)12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5-6(8)9-7(2,3)4;/h3-7,9,12-13,15H,1-2,10-11H2,(H,30,36);6-8,10,12,14H,4-5,11H2,1-3H3;3-5,7,9,11H,1-2,8H2,(H,23,24);3-5,8,10H,1-2,7H2;1-2,4H,3,11H2;1H,2-4H3;1H.

What are the key properties of 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride?

6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 1807.19 g/mol, XLogP of 16.66, 18 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azidomethyl)-3-cyclopropylquinoline-8-carbonitrile;tert-butyl 1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxamide;1-[(8-cyano-3-cyclopropylquinolin-6-yl)methyl]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 160602930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).