1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine

C27H30FN5O — CID 70364099

About 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine

1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine (PubChem CID 70364099) has the molecular formula C27H30FN5O and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine
• PubChem CID: 70364099
• Molecular Formula: C27H30FN5O
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.24
• IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine
• SMILES: COc1cccc(C(C)N2CCC(Nc3nc4cnccc4n3Cc3ccc(F)cc3)CC2)c1
• InChI: InChI=1S/C27H30FN5O/c1-19(21-4-3-5-24(16-21)34-2)32-14-11-23(12-15-32)30-27-31-25-17-29-13-10-26(25)33(27)18-20-6-8-22(28)9-7-20/h3-10,13,16-17,19,23H,11-12,14-15,18H2,1-2H3,(H,30,31)
• InChIKey: QURCXRWDQMIPCS-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine?

The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine (CID 70364099) is 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine.

What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine?

The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine is COc1cccc(C(C)N2CCC(Nc3nc4cnccc4n3Cc3ccc(F)cc3)CC2)c1.

What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine?

The InChIKey is QURCXRWDQMIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O/c1-19(21-4-3-5-24(16-21)34-2)32-14-11-23(12-15-32)30-27-31-25-17-29-13-10-26(25)33(27)18-20-6-8-22(28)9-7-20/h3-10,13,16-17,19,23H,11-12,14-15,18H2,1-2H3,(H,30,31).

What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine?

1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine has a molecular weight of 459.57 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-fluorophenyl)methyl]-N-[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 70364099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).