[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid

C23H19ClN4O4 — CID 175569668

IUPAC[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
SMILESCOc1cc2ncc(-c3ccc(NC(=O)O)cc3)n2cc1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O4/c1-27(17-9-5-15(24)6-10-17)22(29)18-13-28-19(12-25-21(28)11-20(18)32-2)14-3-7-16(8-4-14)26-23(30)31/h3-13,26H,1-2H3,(H,30,31)
InChIKeyJWRKCIFICHAUQJ-UHFFFAOYSA-N
MW450.88 g/mol
LogP5.03
Rot. Bonds5

About [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid

[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid (PubChem CID 175569668) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
PubChem CID175569668
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
SMILESCOc1cc2ncc(-c3ccc(NC(=O)O)cc3)n2cc1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O4/c1-27(17-9-5-15(24)6-10-17)22(29)18-13-28-19(12-25-21(28)11-20(18)32-2)14-3-7-16(8-4-14)26-23(30)31/h3-13,26H,1-2H3,(H,30,31)
InChIKeyJWRKCIFICHAUQJ-UHFFFAOYSA-N
XLogP5.03
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The IUPAC name of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid (CID 175569668) is [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid.
What is the SMILES notation for [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The canonical SMILES for [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid is COc1cc2ncc(-c3ccc(NC(=O)O)cc3)n2cc1C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The InChIKey is JWRKCIFICHAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-27(17-9-5-15(24)6-10-17)22(29)18-13-28-19(12-25-21(28)11-20(18)32-2)14-3-7-16(8-4-14)26-23(30)31/h3-13,26H,1-2H3,(H,30,31).
What are the key properties of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid has a molecular weight of 450.88 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid is sourced from PubChem (CID 175569668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).