2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine

C23H17F4N7O — CID 10140805

IUPAC2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nccc(-c3c(-c4ccc(F)cc4)nn4c(OCC(F)(F)F)cccc34)n2)n1
InChIInChI=1S/C23H17F4N7O/c1-13-11-18(28)34(31-13)22-29-10-9-16(30-22)20-17-3-2-4-19(35-12-23(25,26)27)33(17)32-21(20)14-5-7-15(24)8-6-14/h2-11H,12,28H2,1H3
InChIKeyCNRUGOIUVGXFQB-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine

2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine (PubChem CID 10140805) has the molecular formula C23H17F4N7O and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine
PubChem CID10140805
Molecular FormulaC23H17F4N7O
Molecular Weight483.43 g/mol
Exact Mass483.14
IUPAC Name2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2nccc(-c3c(-c4ccc(F)cc4)nn4c(OCC(F)(F)F)cccc34)n2)n1
InChIInChI=1S/C23H17F4N7O/c1-13-11-18(28)34(31-13)22-29-10-9-16(30-22)20-17-3-2-4-19(35-12-23(25,26)27)33(17)32-21(20)14-5-7-15(24)8-6-14/h2-11H,12,28H2,1H3
InChIKeyCNRUGOIUVGXFQB-UHFFFAOYSA-N
XLogP4.61
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-(2,4-difluorophenyl)-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]oxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171811848
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 11690784
7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
CID 87904295
N-butyl-2-(4-fluorophenyl)-3-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-7-amine
CID 10295871
4-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopropylpyrimidin-2-amine
CID 10110282
7-cyclopentyloxy-2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 21027369
4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 6539406
2,2,2-trifluoro-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl]ethanamine
CID 21027351
3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-amine
CID 71374072
N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513770
4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 155530575

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine?
The IUPAC name of 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) is 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2nccc(-c3c(-c4ccc(F)cc4)nn4c(OCC(F)(F)F)cccc34)n2)n1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine?
The InChIKey is CNRUGOIUVGXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N7O/c1-13-11-18(28)34(31-13)22-29-10-9-16(30-22)20-17-3-2-4-19(35-12-23(25,26)27)33(17)32-21(20)14-5-7-15(24)8-6-14/h2-11H,12,28H2,1H3.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine?
2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine has a molecular weight of 483.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 10140805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).