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

C22H21F4N5O3 — CID 135224311

IUPAC6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)N[C@@]1(c2ncc(C(F)(F)F)cc2F)CCOC[C@@H]1O
InChIInChI=1S/C22H21F4N5O3/c1-11-17(19-28-7-13(12-2-3-12)9-31(19)30-11)20(33)29-21(4-5-34-10-16(21)32)18-15(23)6-14(8-27-18)22(24,25)26/h6-9,12,16,32H,2-5,10H2,1H3,(H,29,33)/t16-,21-/m0/s1
InChIKeyHHFHRXGILXOORN-KKSFZXQISA-N
MW479.43 g/mol
LogP2.87
Rot. Bonds4

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

6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135224311) has the molecular formula C22H21F4N5O3 and a molecular weight of 479.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135224311
Molecular FormulaC22H21F4N5O3
Molecular Weight479.43 g/mol
Exact Mass479.16
IUPAC Name6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)N[C@@]1(c2ncc(C(F)(F)F)cc2F)CCOC[C@@H]1O
InChIInChI=1S/C22H21F4N5O3/c1-11-17(19-28-7-13(12-2-3-12)9-31(19)30-11)20(33)29-21(4-5-34-10-16(21)32)18-15(23)6-14(8-27-18)22(24,25)26/h6-9,12,16,32H,2-5,10H2,1H3,(H,29,33)/t16-,21-/m0/s1
InChIKeyHHFHRXGILXOORN-KKSFZXQISA-N
XLogP2.87
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135224311) is 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)N[C@@]1(c2ncc(C(F)(F)F)cc2F)CCOC[C@@H]1O.
What is the InChIKey of 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HHFHRXGILXOORN-KKSFZXQISA-N. The full InChI is InChI=1S/C22H21F4N5O3/c1-11-17(19-28-7-13(12-2-3-12)9-31(19)30-11)20(33)29-21(4-5-34-10-16(21)32)18-15(23)6-14(8-27-18)22(24,25)26/h6-9,12,16,32H,2-5,10H2,1H3,(H,29,33)/t16-,21-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3R,4R)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxyoxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).