[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid

C23H16ClN5O3 — CID 175569681

IUPAC[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
SMILESCN(C(=O)c1cc(C#N)c2ncc(-c3ccc(NC(=O)O)cc3)n2c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN5O3/c1-28(19-8-4-17(24)5-9-19)22(30)16-10-15(11-25)21-26-12-20(29(21)13-16)14-2-6-18(7-3-14)27-23(31)32/h2-10,12-13,27H,1H3,(H,31,32)
InChIKeyCVNYHCMSLKMPFY-UHFFFAOYSA-N
MW445.87 g/mol
LogP4.89
Rot. Bonds4

About [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid

[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid (PubChem CID 175569681) has the molecular formula C23H16ClN5O3 and a molecular weight of 445.87 g/mol. Its IUPAC name is [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
PubChem CID175569681
Molecular FormulaC23H16ClN5O3
Molecular Weight445.87 g/mol
Exact Mass445.09
IUPAC Name[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
SMILESCN(C(=O)c1cc(C#N)c2ncc(-c3ccc(NC(=O)O)cc3)n2c1)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN5O3/c1-28(19-8-4-17(24)5-9-19)22(30)16-10-15(11-25)21-26-12-20(29(21)13-16)14-2-6-18(7-3-14)27-23(31)32/h2-10,12-13,27H,1H3,(H,31,32)
InChIKeyCVNYHCMSLKMPFY-UHFFFAOYSA-N
XLogP4.89
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 175569729
[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 175569668
[4-[6-[(4-chlorophenyl)-cyclopropylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 175569678
3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157046
3-[4-[(2-amino-2-methylpropyl)amino]phenyl]-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157372
3-(4-chloro-3-fluorophenyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766720
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
[5-[6-[(6-fluoro-3-pyridinyl)-methylcarbamoyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamic acid
CID 175569721
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
methyl N-[4-[6-[(4-chlorophenyl)-methylcarbamoyl]isoquinolin-4-yl]phenyl]carbamate
CID 178036574
N-(4-cyanophenyl)-3-(4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 74766791
3-(6-chloro-3-pyridinyl)-N-(4-cyanophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157437

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The IUPAC name of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid (CID 175569681) is [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid.
What is the SMILES notation for [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The canonical SMILES for [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid is CN(C(=O)c1cc(C#N)c2ncc(-c3ccc(NC(=O)O)cc3)n2c1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
The InChIKey is CVNYHCMSLKMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3/c1-28(19-8-4-17(24)5-9-19)22(30)16-10-15(11-25)21-26-12-20(29(21)13-16)14-2-6-18(7-3-14)27-23(31)32/h2-10,12-13,27H,1H3,(H,31,32).
What are the key properties of [4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid?
[4-[6-[(4-chlorophenyl)-methylcarbamoyl]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid has a molecular weight of 445.87 g/mol, XLogP of 4.89, 4 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]-8-cyanoimidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid is sourced from PubChem (CID 175569681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).