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

C23H24F3N5O3 — CID 126763813

IUPAC6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)CCOCC1(C)O
InChIInChI=1S/C23H24F3N5O3/c1-13-18(19-28-9-15(14-3-4-14)11-31(19)30-13)20(32)29-22(7-8-34-12-21(22,2)33)17-6-5-16(10-27-17)23(24,25)26/h5-6,9-11,14,33H,3-4,7-8,12H2,1-2H3,(H,29,32)
InChIKeyIJOASNYSSZGBIJ-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.13
Rot. Bonds4

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

6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763813) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763813
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)CCOCC1(C)O
InChIInChI=1S/C23H24F3N5O3/c1-13-18(19-28-9-15(14-3-4-14)11-31(19)30-13)20(32)29-22(7-8-34-12-21(22,2)33)17-6-5-16(10-27-17)23(24,25)26/h5-6,9-11,14,33H,3-4,7-8,12H2,1-2H3,(H,29,32)
InChIKeyIJOASNYSSZGBIJ-UHFFFAOYSA-N
XLogP3.13
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.13
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-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763813) is 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)CCOCC1(C)O.
What is the InChIKey of 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJOASNYSSZGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-13-18(19-28-9-15(14-3-4-14)11-31(19)30-13)20(32)29-22(7-8-34-12-21(22,2)33)17-6-5-16(10-27-17)23(24,25)26/h5-6,9-11,14,33H,3-4,7-8,12H2,1-2H3,(H,29,32).
What are the key properties of 6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[3-hydroxy-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.13, 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-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).