3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

C17H18F3N5O2 — CID 171406210

IUPAC3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESCC(C)(NC(=O)c1nn(-c2cnccn2)c2c1CC1CCC2O1)C(F)(F)F
InChIInChI=1S/C17H18F3N5O2/c1-16(2,17(18,19)20)23-15(26)13-10-7-9-3-4-11(27-9)14(10)25(24-13)12-8-21-5-6-22-12/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,23,26)
InChIKeyNORVAOXFLSRFQZ-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.51
Rot. Bonds3

About 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (PubChem CID 171406210) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
PubChem CID171406210
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESCC(C)(NC(=O)c1nn(-c2cnccn2)c2c1CC1CCC2O1)C(F)(F)F
InChIInChI=1S/C17H18F3N5O2/c1-16(2,17(18,19)20)23-15(26)13-10-7-9-3-4-11(27-9)14(10)25(24-13)12-8-21-5-6-22-12/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,23,26)
InChIKeyNORVAOXFLSRFQZ-UHFFFAOYSA-N
XLogP2.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (CID 171406210) is 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is CC(C)(NC(=O)c1nn(-c2cnccn2)c2c1CC1CCC2O1)C(F)(F)F.
What is the InChIKey of 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The InChIKey is NORVAOXFLSRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-16(2,17(18,19)20)23-15(26)13-10-7-9-3-4-11(27-9)14(10)25(24-13)12-8-21-5-6-22-12/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,23,26).
What are the key properties of 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 171406210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).