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

C19H18F3N5O2 — CID 126763794

IUPAC6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1
InChIInChI=1S/C19H18F3N5O2/c1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,26,28)
InChIKeyQJYGBFHKELEGDW-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.89
Rot. Bonds3

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

6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763794) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763794
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1
InChIInChI=1S/C19H18F3N5O2/c1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,26,28)
InChIKeyQJYGBFHKELEGDW-UHFFFAOYSA-N
XLogP2.89
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763794) is 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(C(F)(F)F)cn4)CCOCC3)cnn2c1.
What is the InChIKey of 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QJYGBFHKELEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-12-8-24-16-14(10-25-27(16)11-12)17(28)26-18(4-6-29-7-5-18)15-3-2-13(9-23-15)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,26,28).
What are the key properties of 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).