(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C17H18N6O2 — CID 51030647

IUPAC(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2cnc(C#N)cn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C17H18N6O2/c1-17(2,8-24)21-16(25)14-12-4-9-3-11(9)15(12)23(22-14)13-7-19-10(5-18)6-20-13/h6-7,9,11,24H,3-4,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
InChIKeyKKFNSSOSJAWXJS-MWLCHTKSSA-N
MW338.37 g/mol
LogP0.69
Rot. Bonds4

About (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 51030647) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID51030647
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2cnc(C#N)cn2)c2c1C[C@H]1C[C@@H]21
InChIInChI=1S/C17H18N6O2/c1-17(2,8-24)21-16(25)14-12-4-9-3-11(9)15(12)23(22-14)13-7-19-10(5-18)6-20-13/h6-7,9,11,24H,3-4,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
InChIKeyKKFNSSOSJAWXJS-MWLCHTKSSA-N
XLogP0.69
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 51030647) is (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)(CO)NC(=O)c1nn(-c2cnc(C#N)cn2)c2c1C[C@H]1C[C@@H]21.
What is the InChIKey of (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is KKFNSSOSJAWXJS-MWLCHTKSSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-17(2,8-24)21-16(25)14-12-4-9-3-11(9)15(12)23(22-14)13-7-19-10(5-18)6-20-13/h6-7,9,11,24H,3-4,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1.
What are the key properties of (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(5-cyanopyrazin-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 51030647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).