4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C62H51F11N10O8 — CID 158340421

IUPAC4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H19F4N3O3.C21H17F4N3O3.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;2-8H,9-10H2,1H3,(H,24,26)
InChIKeyGRCCBFQTTDJFTH-UHFFFAOYSA-N
MW1273.13 g/mol
LogP10.67
Rot. Bonds12

About 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158340421) has the molecular formula C62H51F11N10O8 and a molecular weight of 1273.13 g/mol. Its IUPAC name is 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158340421
Molecular FormulaC62H51F11N10O8
Molecular Weight1273.13 g/mol
Exact Mass1272.37
IUPAC Name4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C23H19F4N3O3.C21H17F4N3O3.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;2-8H,9-10H2,1H3,(H,24,26)
InChIKeyGRCCBFQTTDJFTH-UHFFFAOYSA-N
XLogP10.67
TPSA215.64 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.13
LogP ≤ 510.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158952885
6-cyclopropyl-N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(6-cyclopropyl-2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]ethanone;N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxyoxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-hydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159136353
6-cyclopropyl-N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;N-[3-[2-fluoro-4-(trifluoromethyl)phenyl]oxetan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-hydroxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159825201
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)oxyethyl]phenyl]piperidin-1-yl]-8-oxooctyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168187691
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)oxyethyl]phenyl]piperidin-1-yl]-8-oxooctyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168187785

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158340421) is 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)CC3(c4ccc(C(F)(F)F)cc4F)CCOCC3=O)cnn2c1.Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cc4)COC3)cnn2c1.O=C(CC1(c2ccc(C(F)(F)F)cc2F)CCOCC1=O)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRCCBFQTTDJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O3.C21H17F4N3O3.C18H15F3N4O2/c24-18-7-15(23(25,26)27)3-4-17(18)22(5-6-33-12-20(22)32)8-19(31)16-10-29-30-11-14(13-1-2-13)9-28-21(16)30;1-12-8-26-19-14(9-27-28(19)10-12)17(29)7-20(4-5-31-11-18(20)30)15-3-2-13(6-16(15)22)21(23,24)25;1-11-6-22-15-14(7-23-25(15)8-11)16(26)24-17(9-27-10-17)12-2-4-13(5-3-12)18(19,20)21/h3-4,7,9-11,13H,1-2,5-6,8,12H2;2-3,6,8-10H,4-5,7,11H2,1H3;2-8H,9-10H2,1H3,(H,24,26).
What are the key properties of 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1273.13 g/mol, XLogP of 10.67, 12 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]oxan-3-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-4-[2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-2-oxoethyl]oxan-3-one;6-methyl-N-[3-[4-(trifluoromethyl)phenyl]oxetan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).