N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

C25H29F3N6O3 — CID 175922920

IUPACN-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N6O.C2HF3O2/c1-27-13-10-18(16-27)24-23(30)20-14-21-25-19(17-8-4-2-5-9-17)15-22(29(21)26-20)28-11-6-3-7-12-28;3-2(4,5)1(6)7/h2,4-5,8-9,14-15,18H,3,6-7,10-13,16H2,1H3,(H,24,30);(H,6,7)
InChIKeyCRCZJONNWGBARD-UHFFFAOYSA-N
MW518.54 g/mol
LogP3.45
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175922920) has the molecular formula C25H29F3N6O3 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175922920
Molecular FormulaC25H29F3N6O3
Molecular Weight518.54 g/mol
Exact Mass518.23
IUPAC NameN-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N6O.C2HF3O2/c1-27-13-10-18(16-27)24-23(30)20-14-21-25-19(17-8-4-2-5-9-17)15-22(29(21)26-20)28-11-6-3-7-12-28;3-2(4,5)1(6)7/h2,4-5,8-9,14-15,18H,3,6-7,10-13,16H2,1H3,(H,24,30);(H,6,7)
InChIKeyCRCZJONNWGBARD-UHFFFAOYSA-N
XLogP3.45
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 166165038
5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
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CID 46378584
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CID 1045909
ethyl 4-[[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 6615993
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CID 95897098
2-methyl-1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]azocane-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 175922920) is N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is CN1CCC(NC(=O)c2cc3nc(-c4ccccc4)cc(N4CCCCC4)n3n2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CRCZJONNWGBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C2HF3O2/c1-27-13-10-18(16-27)24-23(30)20-14-21-25-19(17-8-4-2-5-9-17)15-22(29(21)26-20)28-11-6-3-7-12-28;3-2(4,5)1(6)7/h2,4-5,8-9,14-15,18H,3,6-7,10-13,16H2,1H3,(H,24,30);(H,6,7).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 518.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175922920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).