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

C21H21N7O3 — CID 155227723

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)N[C@H]4CCCOC4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(10-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-14-3-2-7-30-11-14/h4-6,8-10,14H,2-3,7,11H2,1H3,(H2,22,27)(H,25,29)/t14-/m0/s1
InChIKeyJJMSIYRSBIUVAN-AWEZNQCLSA-N
MW419.45 g/mol
LogP2.25
Rot. Bonds4

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

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155227723) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155227723
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)N[C@H]4CCCOC4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(10-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-14-3-2-7-30-11-14/h4-6,8-10,14H,2-3,7,11H2,1H3,(H2,22,27)(H,25,29)/t14-/m0/s1
InChIKeyJJMSIYRSBIUVAN-AWEZNQCLSA-N
XLogP2.25
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155227723) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)N[C@H]4CCCOC4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is JJMSIYRSBIUVAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-12-9-24-15-5-4-13(10-28(12)15)16-17(21-23-6-8-31-21)27-19(22)18(26-16)20(29)25-14-3-2-7-30-11-14/h4-6,8-10,14H,2-3,7,11H2,1H3,(H2,22,27)(H,25,29)/t14-/m0/s1.
What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-[(3S)-oxan-3-yl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155227723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).