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

C23H23F4N5O3 — CID 126763833

IUPAC6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O
InChIInChI=1S/C23H23F4N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33)
InChIKeySUPHUTXLXXHJQM-UHFFFAOYSA-N
MW493.46 g/mol
LogP3.26
Rot. Bonds4

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

6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763833) has the molecular formula C23H23F4N5O3 and a molecular weight of 493.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763833
Molecular FormulaC23H23F4N5O3
Molecular Weight493.46 g/mol
Exact Mass493.17
IUPAC Name6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O
InChIInChI=1S/C23H23F4N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33)
InChIKeySUPHUTXLXXHJQM-UHFFFAOYSA-N
XLogP3.26
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.26
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-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763833) is 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ncc(C(F)(F)F)cc2F)CCOCC1(C)O.
What is the InChIKey of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SUPHUTXLXXHJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O3/c1-12-17(19-29-8-14(13-3-4-13)10-32(19)31-12)20(33)30-22(5-6-35-11-21(22,2)34)18-16(24)7-15(9-28-18)23(25,26)27/h7-10,13,34H,3-6,11H2,1-2H3,(H,30,33).
What are the key properties of 6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 493.46 g/mol, XLogP of 3.26, 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-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-3-methyloxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).