5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18F3N7O2 — CID 122516617

IUPAC5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCC[C@@H](O)C4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N7O2/c1-25-9-12(14(24-25)17(18,19)20)22-16(29)11-7-21-27-6-4-13(23-15(11)27)26-5-2-3-10(28)8-26/h4,6-7,9-10,28H,2-3,5,8H2,1H3,(H,22,29)/t10-/m1/s1
InChIKeyPAJUFRUFLHDIOZ-SNVBAGLBSA-N
MW409.37 g/mol
LogP1.70
Rot. Bonds3

About 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122516617) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122516617
Molecular FormulaC17H18F3N7O2
Molecular Weight409.37 g/mol
Exact Mass409.15
IUPAC Name5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCC[C@@H](O)C4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N7O2/c1-25-9-12(14(24-25)17(18,19)20)22-16(29)11-7-21-27-6-4-13(23-15(11)27)26-5-2-3-10(28)8-26/h4,6-7,9-10,28H,2-3,5,8H2,1H3,(H,22,29)/t10-/m1/s1
InChIKeyPAJUFRUFLHDIOZ-SNVBAGLBSA-N
XLogP1.70
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122516617) is 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCC[C@@H](O)C4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PAJUFRUFLHDIOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-25-9-12(14(24-25)17(18,19)20)22-16(29)11-7-21-27-6-4-13(23-15(11)27)26-5-2-3-10(28)8-26/h4,6-7,9-10,28H,2-3,5,8H2,1H3,(H,22,29)/t10-/m1/s1.
What are the key properties of 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122516617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).