3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole

C25H19N5 — CID 137088069

About 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole

3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 137088069) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole
• PubChem CID: 137088069
• Molecular Formula: C25H19N5
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.16
• IUPAC Name: 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(C5=CCC=C5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C25H19N5/c1-15-8-10-26-14-20(15)17-6-7-22-18(12-17)25(30-29-22)23-13-19-21(28-23)9-11-27-24(19)16-4-2-3-5-16/h2,4-14,28H,3H2,1H3,(H,29,30)
• InChIKey: UQAHDZOFTDCSJH-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole?

The IUPAC name of 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 137088069) is 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole.

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

The canonical SMILES for 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(C5=CCC=C5)nccc4[nH]3)c2c1.

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

The InChIKey is UQAHDZOFTDCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-15-8-10-26-14-20(15)17-6-7-22-18(12-17)25(30-29-22)23-13-19-21(28-23)9-11-27-24(19)16-4-2-3-5-16/h2,4-14,28H,3H2,1H3,(H,29,30).

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

3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 389.46 g/mol, XLogP of 5.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137088069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).