N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

C27H28N6 — CID 134460542

About N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine

N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (PubChem CID 134460542) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• PubChem CID: 134460542
• Molecular Formula: C27H28N6
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.24
• IUPAC Name: N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
• SMILES: C=C(NC1CCCCC1)c1cncc(-c2ccc3[nH]nc(C(=C)Nc4cccnc4)c3c2)c1
• InChI: InChI=1S/C27H28N6/c1-18(30-23-7-4-3-5-8-23)21-13-22(16-29-15-21)20-10-11-26-25(14-20)27(33-32-26)19(2)31-24-9-6-12-28-17-24/h6,9-17,23,30-31H,1-5,7-8H2,(H,32,33)
• InChIKey: LMPDJYDHRRWNEA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine (CID 134460542) is N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

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

The canonical SMILES for N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is C=C(NC1CCCCC1)c1cncc(-c2ccc3[nH]nc(C(=C)Nc4cccnc4)c3c2)c1.

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

The InChIKey is LMPDJYDHRRWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-18(30-23-7-4-3-5-8-23)21-13-22(16-29-15-21)20-10-11-26-25(14-20)27(33-32-26)19(2)31-24-9-6-12-28-17-24/h6,9-17,23,30-31H,1-5,7-8H2,(H,32,33).

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

N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine has a molecular weight of 436.56 g/mol, XLogP of 6.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 134460542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).