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

C21H20F3N5O3 — CID 126763829

IUPAC6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)14-3-4-16(25-8-14)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29/h3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31)
InChIKeyWXFJLUNWMHJRRL-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.43
Rot. Bonds4

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

6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763829) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763829
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C21H20F3N5O3/c22-21(23,24)14-3-4-16(25-8-14)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29/h3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31)
InChIKeyWXFJLUNWMHJRRL-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-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763829) is 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1(c2ccc(C(F)(F)F)cn2)CCOCC1O)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WXFJLUNWMHJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c22-21(23,24)14-3-4-16(25-8-14)20(5-6-32-11-17(20)30)28-19(31)15-9-27-29-10-13(12-1-2-12)7-26-18(15)29/h3-4,7-10,12,17,30H,1-2,5-6,11H2,(H,28,31).
What are the key properties of 6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-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-[3-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).