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

C22H19N9O2 — CID 155769276

IUPAC3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H19N9O2/c1-12-9-26-16-6-5-13(11-31(12)16)17-18(22-25-7-8-33-22)30-20(24)19(29-17)21(32)27-10-14-3-2-4-15(23)28-14/h2-9,11H,10H2,1H3,(H2,23,28)(H2,24,30)(H,27,32)
InChIKeyGXTPMVGVMSHUBM-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.24
Rot. Bonds5

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

3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155769276) has the molecular formula C22H19N9O2 and a molecular weight of 441.46 g/mol. Its IUPAC name is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155769276
Molecular FormulaC22H19N9O2
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N)n4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H19N9O2/c1-12-9-26-16-6-5-13(11-31(12)16)17-18(22-25-7-8-33-22)30-20(24)19(29-17)21(32)27-10-14-3-2-4-15(23)28-14/h2-9,11H,10H2,1H3,(H2,23,28)(H2,24,30)(H,27,32)
InChIKeyGXTPMVGVMSHUBM-UHFFFAOYSA-N
XLogP2.24
TPSA163.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.24
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-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155769276) is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[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-(3-methylimidazo[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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCc4cccc(N)n4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GXTPMVGVMSHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N9O2/c1-12-9-26-16-6-5-13(11-31(12)16)17-18(22-25-7-8-33-22)30-20(24)19(29-17)21(32)27-10-14-3-2-4-15(23)28-14/h2-9,11H,10H2,1H3,(H2,23,28)(H2,24,30)(H,27,32).
What are the key properties of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 2.24, 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-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).