5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

C57H55N11 — CID 145252305

About 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole

5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 145252305) has the molecular formula C57H55N11 and a molecular weight of 894.14 g/mol. Its IUPAC name is 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
• PubChem CID: 145252305
• Molecular Formula: C57H55N11
• Molecular Weight: 894.14 g/mol
• Exact Mass: 893.46
• IUPAC Name: 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
• SMILES: C/C(=C\CC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)cc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(C6=CCC=C6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H28N6.C27H27N5/c1-18(2)12-19(3)33-23-13-22(16-31-17-23)21-8-9-27-24(14-21)30(36-35-27)28-15-25-26(34-28)10-11-32-29(25)20-6-4-5-7-20;1-16(2)5-6-18(4)26-21-14-25(30-23(21)10-12-29-26)27-20-13-19(7-8-24(20)31-32-27)22-15-28-11-9-17(22)3/h4,6-11,13-18,33-34H,3,5,12H2,1-2H3,(H,35,36);6-16,30H,5H2,1-4H3,(H,31,32)/b;18-6+
• InChIKey: DVWXYEYUEVSWQS-MMIBGNHUSA-N
• XLogP: 14.41
• TPSA: 152.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.14
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?

The IUPAC name of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 145252305) is 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

What is the SMILES notation for 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?

The canonical SMILES for 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is C/C(=C\CC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)cc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(C6=CCC=C6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?

The InChIKey is DVWXYEYUEVSWQS-MMIBGNHUSA-N. The full InChI is InChI=1S/C30H28N6.C27H27N5/c1-18(2)12-19(3)33-23-13-22(16-31-17-23)21-8-9-27-24(14-21)30(36-35-27)28-15-25-26(34-28)10-11-32-29(25)20-6-4-5-7-20;1-16(2)5-6-18(4)26-21-14-25(30-23(21)10-12-29-26)27-20-13-19(7-8-24(20)31-32-27)22-15-28-11-9-17(22)3/h4,6-11,13-18,33-34H,3,5,12H2,1-2H3,(H,35,36);6-16,30H,5H2,1-4H3,(H,31,32)/b;18-6+.

What are the key properties of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?

5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 894.14 g/mol, XLogP of 14.41, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine;3-[4-[(E)-5-methylhex-2-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 145252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).