7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C52H44F6N10O7 — CID 91509718

IUPAC7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1C
InChIInChI=1S/C26H22F3N5O4.C26H22F3N5O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)38-26(27,28)29;1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyWSQADCMNNFDBFP-UHFFFAOYSA-N
MW1034.97 g/mol
LogP8.12
Rot. Bonds15

About 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91509718) has the molecular formula C52H44F6N10O7 and a molecular weight of 1034.97 g/mol. Its IUPAC name is 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID91509718
Molecular FormulaC52H44F6N10O7
Molecular Weight1034.97 g/mol
Exact Mass1034.33
IUPAC Name7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1C
InChIInChI=1S/C26H22F3N5O4.C26H22F3N5O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)38-26(27,28)29;1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37)
InChIKeyWSQADCMNNFDBFP-UHFFFAOYSA-N
XLogP8.12
TPSA220.15 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.97
LogP ≤ 58.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-(3-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735120
N-cyclopropyl-4-[6-[1-(3-methoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735121
US11440913, Example 396
CID 155074162
US11440913, Example 424
CID 155089163
N-[(3-methoxyphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57403855
N,1-bis[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934380
N-cyclopropyl-4-[6-(4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 86344892
US9580437, Example 131
CID 121432974
US9580437, Example 140
CID 121432986
US9580437, Example 130
CID 121433071
US10822352, Comp No. 668
CID 126622930

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91509718) is 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)nc3ccnn23)cc1C.CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3ccnn23)cc1C.
What is the InChIKey of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is WSQADCMNNFDBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O4.C26H22F3N5O3/c1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)38-26(27,28)29;1-15-10-18(6-7-20(15)16(2)35)14-31-25(37)22-12-21(33-23-8-9-32-34(22)23)24(36)30-13-17-4-3-5-19(11-17)26(27,28)29/h3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37);3-12H,13-14H2,1-2H3,(H,30,36)(H,31,37).
What are the key properties of 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1034.97 g/mol, XLogP of 8.12, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91509718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).