2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17F3N6O3 — CID 86304793

IUPAC2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCCOC1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)13-4-6-27-16(25-13)14(15(22)26-27)17(28)24-11-8-23-5-3-12(11)30-10-2-1-7-29-9-10/h3-6,8,10H,1-2,7,9H2,(H2,22,26)(H,24,28)
InChIKeyVJXPEXVXDBBTOE-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.54
Rot. Bonds4

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

2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304793) has the molecular formula C18H17F3N6O3 and a molecular weight of 422.37 g/mol. Its IUPAC name is 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304793
Molecular FormulaC18H17F3N6O3
Molecular Weight422.37 g/mol
Exact Mass422.13
IUPAC Name2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCCOC1
InChIInChI=1S/C18H17F3N6O3/c19-18(20,21)13-4-6-27-16(25-13)14(15(22)26-27)17(28)24-11-8-23-5-3-12(11)30-10-2-1-7-29-9-10/h3-6,8,10H,1-2,7,9H2,(H2,22,26)(H,24,28)
InChIKeyVJXPEXVXDBBTOE-UHFFFAOYSA-N
XLogP2.54
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304793) is 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CCCOC1.
What is the InChIKey of 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VJXPEXVXDBBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3/c19-18(20,21)13-4-6-27-16(25-13)14(15(22)26-27)17(28)24-11-8-23-5-3-12(11)30-10-2-1-7-29-9-10/h3-6,8,10H,1-2,7,9H2,(H2,22,26)(H,24,28).
What are the key properties of 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(oxan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).