5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine

C55H53N13 — CID 145250996

About 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine

5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine (PubChem CID 145250996) has the molecular formula C55H53N13 and a molecular weight of 896.12 g/mol. Its IUPAC name is 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine
• PubChem CID: 145250996
• Molecular Formula: C55H53N13
• Molecular Weight: 896.12 g/mol
• Exact Mass: 895.45
• IUPAC Name: 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine
• SMILES: C/C(=C\CC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)nc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(C6=CCC=C6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C29H27N7.C26H26N6/c1-17(2)12-18(3)32-21-13-20(15-30-16-21)23-8-9-25-28(34-23)29(36-35-25)26-14-22-24(33-26)10-11-31-27(22)19-6-4-5-7-19;1-15(2)5-6-17(4)24-18-13-23(29-21(18)10-12-28-24)26-25-22(31-32-26)8-7-20(30-25)19-14-27-11-9-16(19)3/h4,6-11,13-17,32-33H,3,5,12H2,1-2H3,(H,35,36);6-15,29H,5H2,1-4H3,(H,31,32)/b;17-6+
• InChIKey: FRJHMTOGLSHNKJ-GAJFZDCCSA-N
• XLogP: 13.20
• TPSA: 178.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.12
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine (CID 145250996) is 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine is C/C(=C\CC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cnccc5C)nc34)cc12.C=C(CC(C)C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(C6=CCC=C6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine?

The InChIKey is FRJHMTOGLSHNKJ-GAJFZDCCSA-N. The full InChI is InChI=1S/C29H27N7.C26H26N6/c1-17(2)12-18(3)32-21-13-20(15-30-16-21)23-8-9-25-28(34-23)29(36-35-25)26-14-22-24(33-26)10-11-31-27(22)19-6-4-5-7-19;1-15(2)5-6-17(4)24-18-13-23(29-21(18)10-12-28-24)26-25-22(31-32-26)8-7-20(30-25)19-14-27-11-9-16(19)3/h4,6-11,13-17,32-33H,3,5,12H2,1-2H3,(H,35,36);6-15,29H,5H2,1-4H3,(H,31,32)/b;17-6+.

What are the key properties of 5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine?

5-[3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine has a molecular weight of 896.12 g/mol, XLogP of 13.20, 12 rotatable bonds, 5 hydrogen bond donors, and 9 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-pyrazolo[4,3-b]pyridin-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-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145250996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).