2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid

C18H12ClN3O3 — CID 72950601

IUPAC2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1
InChIInChI=1S/C18H12ClN3O3/c19-12-6-13-8-15(11-4-2-1-3-5-11)21-22(13)14(7-12)9-17-20-16(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24)
InChIKeyNWKSMKWTRGUCIH-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.93
Rot. Bonds4

About 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid

2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 72950601) has the molecular formula C18H12ClN3O3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID72950601
Molecular FormulaC18H12ClN3O3
Molecular Weight353.77 g/mol
Exact Mass353.06
IUPAC Name2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1
InChIInChI=1S/C18H12ClN3O3/c19-12-6-13-8-15(11-4-2-1-3-5-11)21-22(13)14(7-12)9-17-20-16(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24)
InChIKeyNWKSMKWTRGUCIH-UHFFFAOYSA-N
XLogP3.93
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 72722417
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167894290
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
N-(3-chloro-5-fluorophenyl)-2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 170274581
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid (CID 72950601) is 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1.
What is the InChIKey of 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is NWKSMKWTRGUCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3/c19-12-6-13-8-15(11-4-2-1-3-5-11)21-22(13)14(7-12)9-17-20-16(10-25-17)18(23)24/h1-8,10H,9H2,(H,23,24).
What are the key properties of 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 353.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 72950601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).