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

C18H13ClN4O2 — CID 72950604

IUPAC1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1
InChIInChI=1S/C18H13ClN4O2/c19-13-8-14-10-17(12-4-2-1-3-5-12)21-23(14)15(9-13)11-22-7-6-16(20-22)18(24)25/h1-10H,11H2,(H,24,25)
InChIKeyYFIGFCKYLLZSPI-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.60
Rot. Bonds4

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

1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid (PubChem CID 72950604) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
PubChem CID72950604
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1
InChIInChI=1S/C18H13ClN4O2/c19-13-8-14-10-17(12-4-2-1-3-5-12)21-23(14)15(9-13)11-22-7-6-16(20-22)18(24)25/h1-10H,11H2,(H,24,25)
InChIKeyYFIGFCKYLLZSPI-UHFFFAOYSA-N
XLogP3.60
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid (CID 72950604) is 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(Cc2cc(Cl)cc3cc(-c4ccccc4)nn23)n1.
What is the InChIKey of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is YFIGFCKYLLZSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-13-8-14-10-17(12-4-2-1-3-5-12)21-23(14)15(9-13)11-22-7-6-16(20-22)18(24)25/h1-10H,11H2,(H,24,25).
What are the key properties of 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid?
1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 352.78 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 72950604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).