10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide

C20H17ClN6O — CID 130437286

IUPAC10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
SMILESO=C(Nc1cnccn1)N1c2nc(-c3cncc(Cl)c3)ccc2C2CCCC21
InChIInChI=1S/C20H17ClN6O/c21-13-8-12(9-23-10-13)16-5-4-15-14-2-1-3-17(14)27(19(15)25-16)20(28)26-18-11-22-6-7-24-18/h4-11,14,17H,1-3H2,(H,24,26,28)
InChIKeyCUOYLFOJTXWJRQ-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.28
Rot. Bonds2

About 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide

10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide (PubChem CID 130437286) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide.

Molecular Properties

Compound Name10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
PubChem CID130437286
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide
SMILESO=C(Nc1cnccn1)N1c2nc(-c3cncc(Cl)c3)ccc2C2CCCC21
InChIInChI=1S/C20H17ClN6O/c21-13-8-12(9-23-10-13)16-5-4-15-14-2-1-3-17(14)27(19(15)25-16)20(28)26-18-11-22-6-7-24-18/h4-11,14,17H,1-3H2,(H,24,26,28)
InChIKeyCUOYLFOJTXWJRQ-UHFFFAOYSA-N
XLogP4.28
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The IUPAC name of 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide (CID 130437286) is 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide.
What is the SMILES notation for 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The canonical SMILES for 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide is O=C(Nc1cnccn1)N1c2nc(-c3cncc(Cl)c3)ccc2C2CCCC21.
What is the InChIKey of 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
The InChIKey is CUOYLFOJTXWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c21-13-8-12(9-23-10-13)16-5-4-15-14-2-1-3-17(14)27(19(15)25-16)20(28)26-18-11-22-6-7-24-18/h4-11,14,17H,1-3H2,(H,24,26,28).
What are the key properties of 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide?
10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-chloro-3-pyridinyl)-N-pyrazin-2-yl-7,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-7-carboxamide is sourced from PubChem (CID 130437286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).