N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide

C21H17N7O2 — CID 58374838

IUPACN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1cnccn1
InChIInChI=1S/C21H17N7O2/c29-19(14-4-5-14)26-21-25-18-3-1-2-17(28(18)27-21)13-6-8-15(9-7-13)24-20(30)16-12-22-10-11-23-16/h1-3,6-12,14H,4-5H2,(H,24,30)(H,26,27,29)
InChIKeyBJJYXDGMDHTONO-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.79
Rot. Bonds5

About N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 58374838) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide
PubChem CID58374838
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1cnccn1
InChIInChI=1S/C21H17N7O2/c29-19(14-4-5-14)26-21-25-18-3-1-2-17(28(18)27-21)13-6-8-15(9-7-13)24-20(30)16-12-22-10-11-23-16/h1-3,6-12,14H,4-5H2,(H,24,30)(H,26,27,29)
InChIKeyBJJYXDGMDHTONO-UHFFFAOYSA-N
XLogP2.79
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide (CID 58374838) is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1cnccn1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is BJJYXDGMDHTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c29-19(14-4-5-14)26-21-25-18-3-1-2-17(28(18)27-21)13-6-8-15(9-7-13)24-20(30)16-12-22-10-11-23-16/h1-3,6-12,14H,4-5H2,(H,24,30)(H,26,27,29).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 58374838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).