6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N5O3 — CID 155790255

IUPAC6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(O)COCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H20F3N5O3/c1-19(31)10-32-11-20(19,16-5-4-14(7-25-16)21(22,23)24)28-18(30)15-8-27-29-9-13(12-2-3-12)6-26-17(15)29/h4-9,12,31H,2-3,10-11H2,1H3,(H,28,30)
InChIKeySIHYLZRGBOHTAI-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.43
Rot. Bonds4

About 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155790255) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155790255
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(O)COCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H20F3N5O3/c1-19(31)10-32-11-20(19,16-5-4-14(7-25-16)21(22,23)24)28-18(30)15-8-27-29-9-13(12-2-3-12)6-26-17(15)29/h4-9,12,31H,2-3,10-11H2,1H3,(H,28,30)
InChIKeySIHYLZRGBOHTAI-UHFFFAOYSA-N
XLogP2.43
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155790255) is 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(O)COCC1(NC(=O)c1cnn2cc(C3CC3)cnc12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SIHYLZRGBOHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-19(31)10-32-11-20(19,16-5-4-14(7-25-16)21(22,23)24)28-18(30)15-8-27-29-9-13(12-2-3-12)6-26-17(15)29/h4-9,12,31H,2-3,10-11H2,1H3,(H,28,30).
What are the key properties of 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-hydroxy-4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).