1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea

C31H34ClN5O4 — CID 151343945

About 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea

1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea (PubChem CID 151343945) has the molecular formula C31H34ClN5O4 and a molecular weight of 576.10 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea
• PubChem CID: 151343945
• Molecular Formula: C31H34ClN5O4
• Molecular Weight: 576.10 g/mol
• Exact Mass: 575.23
• IUPAC Name: 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea
• SMILES: CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1
• InChI: InChI=1S/C31H34ClN5O4/c1-4-26-29(35-31(40)33-17-20-5-10-27(41-3)25(32)16-20)37-18-23(15-19(2)28(37)34-26)21-6-8-22(9-7-21)30(39)36-13-11-24(38)12-14-36/h5-10,15-16,18,24,38H,4,11-14,17H2,1-3H3,(H2,33,35,40)
• InChIKey: OLBBKYMPKKDNHU-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.10
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea?

The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea (CID 151343945) is 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea.

What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea?

The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea is CCc1nc2c(C)cc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1.

What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea?

The InChIKey is OLBBKYMPKKDNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN5O4/c1-4-26-29(35-31(40)33-17-20-5-10-27(41-3)25(32)16-20)37-18-23(15-19(2)28(37)34-26)21-6-8-22(9-7-21)30(39)36-13-11-24(38)12-14-36/h5-10,15-16,18,24,38H,4,11-14,17H2,1-3H3,(H2,33,35,40).

What are the key properties of 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea?

1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea has a molecular weight of 576.10 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-4-methoxyphenyl)methyl]-3-[2-ethyl-6-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-8-methylimidazo[1,2-a]pyridin-3-yl]urea is sourced from PubChem (CID 151343945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).