N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid

C37H28N6O4 — CID 159087586

IUPACN-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESN#Cc1ccc(N(O)C(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C22H16N4O2.C15H12N2O2/c23-13-16-6-8-18(9-7-16)26(28)22(27)12-21-20(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)21;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-11,14-15,28H,12H2;1-7,9-10H,8H2,(H,18,19)
InChIKeyKBQDKEVKBIFJHI-UHFFFAOYSA-N
MW620.67 g/mol
LogP6.47
Rot. Bonds7

About N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid

N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid (PubChem CID 159087586) has the molecular formula C37H28N6O4 and a molecular weight of 620.67 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
PubChem CID159087586
Molecular FormulaC37H28N6O4
Molecular Weight620.67 g/mol
Exact Mass620.22
IUPAC NameN-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESN#Cc1ccc(N(O)C(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C22H16N4O2.C15H12N2O2/c23-13-16-6-8-18(9-7-16)26(28)22(27)12-21-20(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)21;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-11,14-15,28H,12H2;1-7,9-10H,8H2,(H,18,19)
InChIKeyKBQDKEVKBIFJHI-UHFFFAOYSA-N
XLogP6.47
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.67
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide
CID 134298445
4-[[3-[4-[2-(2-Amino-3-pyridinyl)-5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 176267397
4-[[(3S)-3-[4-[2-(2-amino-3-pyridinyl)-5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 176267460
4-[[(3R)-3-[4-[2-(2-amino-3-pyridinyl)-5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 176267687
2-(3-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)propanoic acid
CID 176241485
2-(3-((3-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)azetidin-1-yl)methyl)phenyl)acetic acid
CID 176267874
2-(3-((4-(2-(2-aminopyridin-3-yl)-6-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176267927
2-(3-(((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)amino)methyl)phenyl)acetic acid
CID 176267946
2-(3-((4-(6-(4-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176268049
2-(3-((4-(5-(4-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176268102
2-(4-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176268162
2-(3-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176268174

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The IUPAC name of N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid (CID 159087586) is N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The canonical SMILES for N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid is N#Cc1ccc(N(O)C(=O)Cc2c(-c3ccccc3)ccc3cncn23)cc1.O=C(O)Cc1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
The InChIKey is KBQDKEVKBIFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2.C15H12N2O2/c23-13-16-6-8-18(9-7-16)26(28)22(27)12-21-20(17-4-2-1-3-5-17)11-10-19-14-24-15-25(19)21;18-15(19)8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14/h1-11,14-15,28H,12H2;1-7,9-10H,8H2,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid?
N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid has a molecular weight of 620.67 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetamide;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 159087586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).