6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

C109H102ClN23 — CID 157317510

About 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (PubChem CID 157317510) has the molecular formula C109H102ClN23 and a molecular weight of 1769.63 g/mol. Its IUPAC name is 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

Molecular Properties

• Compound Name: 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• PubChem CID: 157317510
• Molecular Formula: C109H102ClN23
• Molecular Weight: 1769.63 g/mol
• Exact Mass: 1767.84
• IUPAC Name: 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• SMILES: C=Cc1[nH]ccc1-c1cnc(-c2ccc3ncn(C)c3c2)cc1CCCC.CCCc1c(-c2c[nH]c3ccncc23)nc2c(c1C)C1C=NNC1C=C2.CCCc1c(-c2c[nH]c3nccc(Cl)c23)nc2ccc3[nH]ncc3c2c1C.CN1C=NC2CC=C(c3nc4ccc5[nH]ncc5c4c4c3CCCC4)C=C21.c1cc2[nH]cc(-c3[nH]c4ccc5nccc5c4c4c3CCCC4)c2cn1
• InChI: InChI=1S/C23H24N4.C22H21N5.C22H18N4.C21H18ClN5.C21H21N5/c1-4-6-7-16-12-22(17-8-9-21-23(13-17)27(3)15-26-21)25-14-19(16)18-10-11-24-20(18)5-2;1-27-12-23-18-7-6-13(10-20(18)27)22-15-5-3-2-4-14(15)21-16-11-24-26-17(16)8-9-19(21)25-22;1-2-4-14-13(3-1)21-15-7-10-24-18(15)5-6-20(21)26-22(14)17-12-25-19-8-9-23-11-16(17)19;1-3-4-12-11(2)18-13-10-25-27-16(13)5-6-17(18)26-20(12)14-9-24-21-19(14)15(22)7-8-23-21;1-3-4-13-12(2)20-16-11-24-26-18(16)5-6-19(20)25-21(13)15-10-23-17-7-8-22-9-14(15)17/h5,8-15,24H,2,4,6-7H2,1,3H3;6,8-12,18H,2-5,7H2,1H3,(H,24,26);5-12,25-26H,1-4H2;5-10H,3-4H2,1-2H3,(H,23,24)(H,25,27);5-11,16,18,23,26H,3-4H2,1-2H3
• InChIKey: LFMNVNZATNNEME-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 297.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1769.63
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The IUPAC name of 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (CID 157317510) is 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

What is the SMILES notation for 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The canonical SMILES for 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is C=Cc1[nH]ccc1-c1cnc(-c2ccc3ncn(C)c3c2)cc1CCCC.CCCc1c(-c2c[nH]c3ccncc23)nc2c(c1C)C1C=NNC1C=C2.CCCc1c(-c2c[nH]c3nccc(Cl)c23)nc2ccc3[nH]ncc3c2c1C.CN1C=NC2CC=C(c3nc4ccc5[nH]ncc5c4c4c3CCCC4)C=C21.c1cc2[nH]cc(-c3[nH]c4ccc5nccc5c4c4c3CCCC4)c2cn1.

What is the InChIKey of 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The InChIKey is LFMNVNZATNNEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4.C22H21N5.C22H18N4.C21H18ClN5.C21H21N5/c1-4-6-7-16-12-22(17-8-9-21-23(13-17)27(3)15-26-21)25-14-19(16)18-10-11-24-20(18)5-2;1-27-12-23-18-7-6-13(10-20(18)27)22-15-5-3-2-4-14(15)21-16-11-24-26-17(16)8-9-19(21)25-22;1-2-4-14-13(3-1)21-15-7-10-24-18(15)5-6-20(21)26-22(14)17-12-25-19-8-9-23-11-16(17)19;1-3-4-12-11(2)18-13-10-25-27-16(13)5-6-17(18)26-20(12)14-9-24-21-19(14)15(22)7-8-23-21;1-3-4-13-12(2)20-16-11-24-26-18(16)5-6-19(20)25-21(13)15-10-23-17-7-8-22-9-14(15)17/h5,8-15,24H,2,4,6-7H2,1,3H3;6,8-12,18H,2-5,7H2,1H3,(H,24,26);5-12,25-26H,1-4H2;5-10H,3-4H2,1-2H3,(H,23,24)(H,25,27);5-11,16,18,23,26H,3-4H2,1-2H3.

What are the key properties of 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine has a molecular weight of 1769.63 g/mol, XLogP of 24.28, 14 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-butyl-5-(2-ethenyl-1H-pyrrol-3-yl)-2-pyridinyl]-1-methylbenzimidazole;7-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinoline;7-(3-methyl-7,7a-dihydrobenzimidazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;9-methyl-8-propyl-7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinoline;7-(1H-pyrrolo[3,2-c]pyridin-3-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is sourced from PubChem (CID 157317510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).