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

C22H21F4N5O2 — CID 126763783

IUPAC6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2cnc(C(F)(F)F)c(F)c2)CCOCC1
InChIInChI=1S/C22H21F4N5O2/c1-12-17(19-28-9-14(13-2-3-13)11-31(19)30-12)20(32)29-21(4-6-33-7-5-21)15-8-16(23)18(27-10-15)22(24,25)26/h8-11,13H,2-7H2,1H3,(H,29,32)
InChIKeyARFRCURMUBCGSL-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.90
Rot. Bonds4

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

6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763783) has the molecular formula C22H21F4N5O2 and a molecular weight of 463.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763783
Molecular FormulaC22H21F4N5O2
Molecular Weight463.44 g/mol
Exact Mass463.16
IUPAC Name6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2cnc(C(F)(F)F)c(F)c2)CCOCC1
InChIInChI=1S/C22H21F4N5O2/c1-12-17(19-28-9-14(13-2-3-13)11-31(19)30-12)20(32)29-21(4-6-33-7-5-21)15-8-16(23)18(27-10-15)22(24,25)26/h8-11,13H,2-7H2,1H3,(H,29,32)
InChIKeyARFRCURMUBCGSL-UHFFFAOYSA-N
XLogP3.90
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763783) is 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2cnc(C(F)(F)F)c(F)c2)CCOCC1.
What is the InChIKey of 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ARFRCURMUBCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N5O2/c1-12-17(19-28-9-14(13-2-3-13)11-31(19)30-12)20(32)29-21(4-6-33-7-5-21)15-8-16(23)18(27-10-15)22(24,25)26/h8-11,13H,2-7H2,1H3,(H,29,32).
What are the key properties of 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).