6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide

C21H18N6O2 — CID 165415073

IUPAC6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCOc1ncc(C2CC2)nc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18N6O2/c1-29-21-18(24-16(12-22-21)13-7-8-13)20(28)23-15-9-10-27-17(11-15)25-19(26-27)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,23,28)
InChIKeyFLSBUJKNHMKKQS-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.32
Rot. Bonds5

About 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide

6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide (PubChem CID 165415073) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide
PubChem CID165415073
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide
SMILESCOc1ncc(C2CC2)nc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18N6O2/c1-29-21-18(24-16(12-22-21)13-7-8-13)20(28)23-15-9-10-27-17(11-15)25-19(26-27)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,23,28)
InChIKeyFLSBUJKNHMKKQS-UHFFFAOYSA-N
XLogP3.32
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide (CID 165415073) is 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide is COc1ncc(C2CC2)nc1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide?
The InChIKey is FLSBUJKNHMKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-29-21-18(24-16(12-22-21)13-7-8-13)20(28)23-15-9-10-27-17(11-15)25-19(26-27)14-5-3-2-4-6-14/h2-6,9-13H,7-8H2,1H3,(H,23,28).
What are the key properties of 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide?
6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methoxy-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 165415073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).