6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

C27H29N7 — CID 134460572

About 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (PubChem CID 134460572) has the molecular formula C27H29N7 and a molecular weight of 451.58 g/mol. Its IUPAC name is 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• PubChem CID: 134460572
• Molecular Formula: C27H29N7
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.25
• IUPAC Name: 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• SMILES: C=C(N)c1ccc(NC(=C)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1
• InChI: InChI=1S/C27H29N7/c1-18(28)25-9-7-23(16-30-25)31-19(2)27-24-13-21(6-8-26(24)32-33-27)22-12-20(14-29-15-22)17-34-10-4-3-5-11-34/h6-9,12-16,31H,1-5,10-11,17,28H2,(H,32,33)
• InChIKey: ICBCTHKVWBIKTP-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 95.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The IUPAC name of 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (CID 134460572) is 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

What is the SMILES notation for 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The canonical SMILES for 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is C=C(N)c1ccc(NC(=C)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.

What is the InChIKey of 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

The InChIKey is ICBCTHKVWBIKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7/c1-18(28)25-9-7-23(16-30-25)31-19(2)27-24-13-21(6-8-26(24)32-33-27)22-12-20(14-29-15-22)17-34-10-4-3-5-11-34/h6-9,12-16,31H,1-5,10-11,17,28H2,(H,32,33).

What are the key properties of 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine?

6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine has a molecular weight of 451.58 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-aminoethenyl)-N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 134460572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).