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

C21H22F3N5O2 — CID 145294624

IUPAC6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1
InChIInChI=1S/C21H22F3N5O2/c1-13(2)14-9-26-18-16(11-27-29(18)12-14)19(30)28-20(5-7-31-8-6-20)17-4-3-15(10-25-17)21(22,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,30)
InChIKeyWERDGDFQKUWOAG-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.70
Rot. Bonds4

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

6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145294624) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145294624
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1
InChIInChI=1S/C21H22F3N5O2/c1-13(2)14-9-26-18-16(11-27-29(18)12-14)19(30)28-20(5-7-31-8-6-20)17-4-3-15(10-25-17)21(22,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,30)
InChIKeyWERDGDFQKUWOAG-UHFFFAOYSA-N
XLogP3.70
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145294624) is 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1.
What is the InChIKey of 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WERDGDFQKUWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-13(2)14-9-26-18-16(11-27-29(18)12-14)19(30)28-20(5-7-31-8-6-20)17-4-3-15(10-25-17)21(22,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,30).
What are the key properties of 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145294624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).