N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine

C22H22FN5OS — CID 10295871

IUPACN-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C22H22FN5OS/c1-3-4-13-24-19-7-5-6-18-20(17-12-14-25-22(26-17)30(2)29)21(27-28(18)19)15-8-10-16(23)11-9-15/h5-12,14,24H,3-4,13H2,1-2H3
InChIKeyMBDYVBQWQPYENL-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.55
Rot. Bonds7

About N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine

N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10295871) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10295871
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC NameN-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCCCCNc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C22H22FN5OS/c1-3-4-13-24-19-7-5-6-18-20(17-12-14-25-22(26-17)30(2)29)21(27-28(18)19)15-8-10-16(23)11-9-15/h5-12,14,24H,3-4,13H2,1-2H3
InChIKeyMBDYVBQWQPYENL-UHFFFAOYSA-N
XLogP4.55
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]pyrazolo[1,5-a]pyridine
CID 10140975
4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
CID 69243247
7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
CID 87904295
2-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]guanidine
CID 10229481
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 11690784
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine
CID 10140805
1-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]-3-(4-methylphenyl)sulfonylurea
CID 10305206
2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
CID 69425147
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[4-[[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-7-yl]amino]butyl]pentanamide
CID 57494728
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine (CID 10295871) is N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine is CCCCNc1cccc2c(-c3ccnc(S(C)=O)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is MBDYVBQWQPYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c1-3-4-13-24-19-7-5-6-18-20(17-12-14-25-22(26-17)30(2)29)21(27-28(18)19)15-8-10-16(23)11-9-15/h5-12,14,24H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine?
N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 423.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10295871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).