4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine

C26H28N6 — CID 167366936

About 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine

4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 167366936) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

• Compound Name: 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine
• PubChem CID: 167366936
• Molecular Formula: C26H28N6
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.24
• IUPAC Name: 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine
• SMILES: Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(NC(C)C)CC4)cc3n2)n1
• InChI: InChI=1S/C26H28N6/c1-16(2)29-20-9-7-18(8-10-20)19-13-25-23(27-14-19)12-11-22(31-25)21-15-28-32-26(21)24-6-4-5-17(3)30-24/h4-7,11-16,20,29H,8-10H2,1-3H3,(H,28,32)
• InChIKey: NASBSKGBNYDKCA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?

The IUPAC name of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine (CID 167366936) is 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine.

What is the SMILES notation for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?

The canonical SMILES for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(NC(C)C)CC4)cc3n2)n1.

What is the InChIKey of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?

The InChIKey is NASBSKGBNYDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-16(2)29-20-9-7-18(8-10-20)19-13-25-23(27-14-19)12-11-22(31-25)21-15-28-32-26(21)24-6-4-5-17(3)30-24/h4-7,11-16,20,29H,8-10H2,1-3H3,(H,28,32).

What are the key properties of 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine?

4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 424.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 167366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).