[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone

C25H22F3N5O — CID 150026979

IUPAC[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1cc(F)ccc1Nc1c(C(=O)N2CCC(F)(c3ccc(F)cc3)CC2)cnc2ccnn12
InChIInChI=1S/C25H22F3N5O/c1-16-14-19(27)6-7-21(16)31-23-20(15-29-22-8-11-30-33(22)23)24(34)32-12-9-25(28,10-13-32)17-2-4-18(26)5-3-17/h2-8,11,14-15,31H,9-10,12-13H2,1H3
InChIKeyDGLGEPUCQZKUSP-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.16
Rot. Bonds4

About [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone

[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (PubChem CID 150026979) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
PubChem CID150026979
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
SMILESCc1cc(F)ccc1Nc1c(C(=O)N2CCC(F)(c3ccc(F)cc3)CC2)cnc2ccnn12
InChIInChI=1S/C25H22F3N5O/c1-16-14-19(27)6-7-21(16)31-23-20(15-29-22-8-11-30-33(22)23)24(34)32-12-9-25(28,10-13-32)17-2-4-18(26)5-3-17/h2-8,11,14-15,31H,9-10,12-13H2,1H3
InChIKeyDGLGEPUCQZKUSP-UHFFFAOYSA-N
XLogP5.16
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 141364699
7-(4-fluoro-2-methylanilino)-6-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67540926
N-ethylsulfonyl-6-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)-7-(2-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67539456
ethyl 7-(2-fluoro-5-methylanilino)-6-(6-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67541055
4-(4-fluoro-2-methylanilino)-5-(4-phenylpiperidine-1-carbonyl)pyridine-2-sulfonamide
CID 118412514
ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71178929
1-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]-3-propylurea
CID 118412786
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
7-(2,5-dimethylanilino)-N-ethylsulfonyl-6-(6-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67540823
2-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonylamino]-N,N-dimethylacetamide
CID 118412301
tert-butyl 4-[[4-(4-fluoro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-2-pyridinyl]sulfonyl]piperazine-1-carboxylate
CID 118412537
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The IUPAC name of [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone (CID 150026979) is [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone.
What is the SMILES notation for [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The canonical SMILES for [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(F)(c3ccc(F)cc3)CC2)cnc2ccnn12.
What is the InChIKey of [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
The InChIKey is DGLGEPUCQZKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-16-14-19(27)6-7-21(16)31-23-20(15-29-22-8-11-30-33(22)23)24(34)32-12-9-25(28,10-13-32)17-2-4-18(26)5-3-17/h2-8,11,14-15,31H,9-10,12-13H2,1H3.
What are the key properties of [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone?
[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone has a molecular weight of 465.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone is sourced from PubChem (CID 150026979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).