4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

C26H23F3N4O3 — CID 75628651

IUPAC4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(O)(C(O)C4CC4)C(F)(F)F)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C26H23F3N4O3/c1-15-13-22-30-21(14-20(33(22)32-15)16-5-3-2-4-6-16)31-24(35)18-9-11-19(12-10-18)25(36,26(27,28)29)23(34)17-7-8-17/h2-6,9-14,17,23,34,36H,7-8H2,1H3,(H,30,31,35)
InChIKeyNTZKWAJNGWSKRR-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.48
Rot. Bonds6

About 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide

4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (PubChem CID 75628651) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
PubChem CID75628651
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(C(O)(C(O)C4CC4)C(F)(F)F)cc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C26H23F3N4O3/c1-15-13-22-30-21(14-20(33(22)32-15)16-5-3-2-4-6-16)31-24(35)18-9-11-19(12-10-18)25(36,26(27,28)29)23(34)17-7-8-17/h2-6,9-14,17,23,34,36H,7-8H2,1H3,(H,30,31,35)
InChIKeyNTZKWAJNGWSKRR-UHFFFAOYSA-N
XLogP4.48
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydroxypentan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 75628494
4-[(2S)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 51348183
4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67082901
2-[[2-methyl-2-[4-[(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)carbamoyl]phenyl]propyl]amino]-2-oxoacetic acid
CID 67064797
5-[(2R)-1,2-dihydroxypropan-2-yl]-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxamide
CID 51348474
trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 67064043
N-[7-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 66878496
N-[7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064650
N-[7-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064656
N-[7-[4-(carbamoylamino)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064490
4-[5-[[4-(2-hydroxypropan-2-yl)benzoyl]amino]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-sulfinic acid
CID 70961380
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide (CID 75628651) is 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc(C(O)(C(O)C4CC4)C(F)(F)F)cc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
The InChIKey is NTZKWAJNGWSKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-15-13-22-30-21(14-20(33(22)32-15)16-5-3-2-4-6-16)31-24(35)18-9-11-19(12-10-18)25(36,26(27,28)29)23(34)17-7-8-17/h2-6,9-14,17,23,34,36H,7-8H2,1H3,(H,30,31,35).
What are the key properties of 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide?
4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide has a molecular weight of 496.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 75628651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).