N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C27H20N6 — CID 145252257

About N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252257) has the molecular formula C27H20N6 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252257
• Molecular Formula: C27H20N6
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.17
• IUPAC Name: N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C27H20N6/c1-17(18-5-3-2-4-6-18)30-22-11-20(14-29-16-22)19-7-8-25-23(12-19)27(33-32-25)26-13-21-15-28-10-9-24(21)31-26/h2-16,30-31H,1H2,(H,32,33)
• InChIKey: ZPBCMRYAPIXMAY-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252257) is N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3c2)c1)c1ccccc1.

What is the InChIKey of N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is ZPBCMRYAPIXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6/c1-17(18-5-3-2-4-6-18)30-22-11-20(14-29-16-22)19-7-8-25-23(12-19)27(33-32-25)26-13-21-15-28-10-9-24(21)31-26/h2-16,30-31H,1H2,(H,32,33).

What are the key properties of N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 428.50 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).