3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid

C24H22FN5O2 — CID 10274363

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C24H22FN5O2/c1-14-18(23(31)32)10-11-20-21(22(29-30(14)20)15-6-8-16(25)9-7-15)19-12-13-26-24(28-19)27-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,31,32)(H,26,27,28)
InChIKeyCPWDRPDDVGWEFF-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.96
Rot. Bonds5

About 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 10274363) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID10274363
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C24H22FN5O2/c1-14-18(23(31)32)10-11-20-21(22(29-30(14)20)15-6-8-16(25)9-7-15)19-12-13-26-24(28-19)27-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,31,32)(H,26,27,28)
InChIKeyCPWDRPDDVGWEFF-UHFFFAOYSA-N
XLogP4.96
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 10274363) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid is Cc1c(C(=O)O)ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CPWDRPDDVGWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-14-18(23(31)32)10-11-20-21(22(29-30(14)20)15-6-8-16(25)9-7-15)19-12-13-26-24(28-19)27-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,31,32)(H,26,27,28).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 431.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 10274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).