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

C20H19F4N5O2 — CID 126763786

IUPACN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3)c(C)nn2c1
InChIInChI=1S/C20H19F4N5O2/c1-11-8-26-17-15(12(2)28-29(17)10-11)18(30)27-19(3-5-31-6-4-19)16-14(21)7-13(9-25-16)20(22,23)24/h7-10H,3-6H2,1-2H3,(H,27,30)
InChIKeyMYXBTQPCDZDHRX-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.33
Rot. Bonds3

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

N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763786) has the molecular formula C20H19F4N5O2 and a molecular weight of 437.40 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763786
Molecular FormulaC20H19F4N5O2
Molecular Weight437.40 g/mol
Exact Mass437.15
IUPAC NameN-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3)c(C)nn2c1
InChIInChI=1S/C20H19F4N5O2/c1-11-8-26-17-15(12(2)28-29(17)10-11)18(30)27-19(3-5-31-6-4-19)16-14(21)7-13(9-25-16)20(22,23)24/h7-10H,3-6H2,1-2H3,(H,27,30)
InChIKeyMYXBTQPCDZDHRX-UHFFFAOYSA-N
XLogP3.33
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763786) is N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ncc(C(F)(F)F)cc4F)CCOCC3)c(C)nn2c1.
What is the InChIKey of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MYXBTQPCDZDHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O2/c1-11-8-26-17-15(12(2)28-29(17)10-11)18(30)27-19(3-5-31-6-4-19)16-14(21)7-13(9-25-16)20(22,23)24/h7-10H,3-6H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).