(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

C19H25N5O3 — CID 164620714

IUPAC(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@H]1CC[C@@H]2O1
InChIInChI=1S/C19H25N5O3/c1-19(2,3)14(10-25)22-18(26)16-12-8-11-4-5-13(27-11)17(12)24(23-16)15-9-20-6-7-21-15/h6-7,9,11,13-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t11-,13+,14-/m1/s1
InChIKeyZEIZSOHGPLLUEV-KWCYVHTRSA-N
MW371.44 g/mol
LogP1.58
Rot. Bonds4

About (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide

(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (PubChem CID 164620714) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
PubChem CID164620714
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@H]1CC[C@@H]2O1
InChIInChI=1S/C19H25N5O3/c1-19(2,3)14(10-25)22-18(26)16-12-8-11-4-5-13(27-11)17(12)24(23-16)15-9-20-6-7-21-15/h6-7,9,11,13-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t11-,13+,14-/m1/s1
InChIKeyZEIZSOHGPLLUEV-KWCYVHTRSA-N
XLogP1.58
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The IUPAC name of (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide (CID 164620714) is (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-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 (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The canonical SMILES for (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1nn(-c2cnccn2)c2c1C[C@H]1CC[C@@H]2O1.
What is the InChIKey of (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
The InChIKey is ZEIZSOHGPLLUEV-KWCYVHTRSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-19(2,3)14(10-25)22-18(26)16-12-8-11-4-5-13(27-11)17(12)24(23-16)15-9-20-6-7-21-15/h6-7,9,11,13-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t11-,13+,14-/m1/s1.
What are the key properties of (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide?
(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 164620714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).