4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine

C29H34FN7 — CID 154995788

About 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine

4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 154995788) has the molecular formula C29H34FN7 and a molecular weight of 499.64 g/mol. Its IUPAC name is 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
• PubChem CID: 154995788
• Molecular Formula: C29H34FN7
• Molecular Weight: 499.64 g/mol
• Exact Mass: 499.29
• IUPAC Name: 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
• SMILES: CN1CCC(NC2CCC(Nc3ncc(F)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)CC2)CC1
• InChI: InChI=1S/C29H34FN7/c1-36-15-13-24(14-16-36)33-22-8-10-23(11-9-22)34-29-32-17-25(30)28(35-29)26-18-31-27-12-7-21(19-37(26)27)20-5-3-2-4-6-20/h2-7,12,17-19,22-24,33H,8-11,13-16H2,1H3,(H,32,34,35)
• InChIKey: HWEVVQMLJXRJCO-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 70.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.64
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?

The IUPAC name of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine (CID 154995788) is 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine.

What is the SMILES notation for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?

The canonical SMILES for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine is CN1CCC(NC2CCC(Nc3ncc(F)c(-c4cnc5ccc(-c6ccccc6)cn45)n3)CC2)CC1.

What is the InChIKey of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?

The InChIKey is HWEVVQMLJXRJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7/c1-36-15-13-24(14-16-36)33-22-8-10-23(11-9-22)34-29-32-17-25(30)28(35-29)26-18-31-27-12-7-21(19-37(26)27)20-5-3-2-4-6-20/h2-7,12,17-19,22-24,33H,8-11,13-16H2,1H3,(H,32,34,35).

What are the key properties of 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine?

4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 499.64 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 154995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).