N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C30H27N7 — CID 145252072

About N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252072) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252072
• Molecular Formula: C30H27N7
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H27N7/c1-3-4-5-19(2)34-23-14-22(17-32-18-23)21-6-7-27-24(15-21)30(37-36-27)28-16-25-26(35-28)10-13-33-29(25)20-8-11-31-12-9-20/h6-18,34-35H,2-5H2,1H3,(H,36,37)
• InChIKey: BHAVMEJFMBOFTA-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.60
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252072) is N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The InChIKey is BHAVMEJFMBOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-3-4-5-19(2)34-23-14-22(17-32-18-23)21-6-7-27-24(15-21)30(37-36-27)28-16-25-26(35-28)10-13-33-29(25)20-8-11-31-12-9-20/h6-18,34-35H,2-5H2,1H3,(H,36,37).

What are the key properties of N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 485.60 g/mol, XLogP of 7.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).