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

C24H20ClF2N5O — CID 141364699

IUPAC[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc2ccnn2c1Nc1cc(Cl)ccc1F)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20ClF2N5O/c25-17-3-6-20(27)21(13-17)30-23-19(14-28-22-7-10-29-32(22)23)24(33)31-11-8-16(9-12-31)15-1-4-18(26)5-2-15/h1-7,10,13-14,16,30H,8-9,11-12H2
InChIKeyNCMXXZZMJCHPIT-UHFFFAOYSA-N
MW467.91 g/mol
LogP5.42
Rot. Bonds4

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

[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 141364699) has the molecular formula C24H20ClF2N5O and a molecular weight of 467.91 g/mol. Its IUPAC name is [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID141364699
Molecular FormulaC24H20ClF2N5O
Molecular Weight467.91 g/mol
Exact Mass467.13
IUPAC Name[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc2ccnn2c1Nc1cc(Cl)ccc1F)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20ClF2N5O/c25-17-3-6-20(27)21(13-17)30-23-19(14-28-22-7-10-29-32(22)23)24(33)31-11-8-16(9-12-31)15-1-4-18(26)5-2-15/h1-7,10,13-14,16,30H,8-9,11-12H2
InChIKeyNCMXXZZMJCHPIT-UHFFFAOYSA-N
XLogP5.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-7-(2-fluoro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 71179050
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412213
[4-fluoro-4-(4-fluorophenyl)piperidin-1-yl]-[7-(4-fluoro-2-methylanilino)pyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 150026979
[6-chloro-4-(quinolin-6-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412572
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
7-(2-chloro-4-fluoro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]-N-propylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150473184
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
[3-bromo-7-(2-chloro-3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 67540868
ethyl 6-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-7-(2-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67541174
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903

Frequently Asked Questions

What is the IUPAC name of [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 141364699) is [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is O=C(c1cnc2ccnn2c1Nc1cc(Cl)ccc1F)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is NCMXXZZMJCHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O/c25-17-3-6-20(27)21(13-17)30-23-19(14-28-22-7-10-29-32(22)23)24(33)31-11-8-16(9-12-31)15-1-4-18(26)5-2-15/h1-7,10,13-14,16,30H,8-9,11-12H2.
What are the key properties of [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 467.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 141364699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).