3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C21H17N9O2 — CID 146386538

IUPAC3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C21H17N9O2/c22-14-3-1-2-13(27-14)10-26-20(31)18-19(23)29-17(21-25-7-9-32-21)16(28-18)12-4-5-15-24-6-8-30(15)11-12/h1-9,11H,10H2,(H2,22,27)(H2,23,29)(H,26,31)
InChIKeyWJBZHWNSLMGASE-UHFFFAOYSA-N
MW427.43 g/mol
LogP1.94
Rot. Bonds5

About 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386538) has the molecular formula C21H17N9O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386538
Molecular FormulaC21H17N9O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESNc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C21H17N9O2/c22-14-3-1-2-13(27-14)10-26-20(31)18-19(23)29-17(21-25-7-9-32-21)16(28-18)12-4-5-15-24-6-8-30(15)11-12/h1-9,11H,10H2,(H2,22,27)(H2,23,29)(H,26,31)
InChIKeyWJBZHWNSLMGASE-UHFFFAOYSA-N
XLogP1.94
TPSA163.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386538) is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Nc1cccc(CNC(=O)c2nc(-c3ccc4nccn4c3)c(-c3ncco3)nc2N)n1.
What is the InChIKey of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is WJBZHWNSLMGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9O2/c22-14-3-1-2-13(27-14)10-26-20(31)18-19(23)29-17(21-25-7-9-32-21)16(28-18)12-4-5-15-24-6-8-30(15)11-12/h1-9,11H,10H2,(H2,22,27)(H2,23,29)(H,26,31).
What are the key properties of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).