3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide

C21H21IN6O3 — CID 146386509

IUPAC3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide
SMILESCOC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)c(I)c1N
InChIInChI=1S/C21H21IN6O3/c1-11-8-25-14-5-4-13(10-28(11)14)18-15(21-24-6-7-31-21)16(22)17(23)19(27-18)20(29)26-9-12(2)30-3/h4-8,10,12H,9,23H2,1-3H3,(H,26,29)
InChIKeyWAGXVNBJJQUOJK-UHFFFAOYSA-N
MW532.34 g/mol
LogP3.31
Rot. Bonds6

About 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide

3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide (PubChem CID 146386509) has the molecular formula C21H21IN6O3 and a molecular weight of 532.34 g/mol. Its IUPAC name is 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide
PubChem CID146386509
Molecular FormulaC21H21IN6O3
Molecular Weight532.34 g/mol
Exact Mass532.07
IUPAC Name3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide
SMILESCOC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)c(I)c1N
InChIInChI=1S/C21H21IN6O3/c1-11-8-25-14-5-4-13(10-28(11)14)18-15(21-24-6-7-31-21)16(22)17(23)19(27-18)20(29)26-9-12(2)30-3/h4-8,10,12H,9,23H2,1-3H3,(H,26,29)
InChIKeyWAGXVNBJJQUOJK-UHFFFAOYSA-N
XLogP3.31
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
CID 155678655
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
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide
CID 146380254
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-N-(oxan-4-ylmethyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146380252
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 155209222
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 146380293
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[(3S)-oxolan-3-yl]pyrazine-2-carboxamide
CID 155209338
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
3-amino-N-[[6-[3-(dimethylamino)azetidin-1-yl]-2-pyridinyl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146386518
tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate
CID 155209326
1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(4,4-dimethylpyrrolidin-2-yl)propan-1-one
CID 158440090
3-amino-6-[3-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146386591

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide (CID 146386509) is 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide is COC(C)CNC(=O)c1nc(-c2ccc3ncc(C)n3c2)c(-c2ncco2)c(I)c1N.
What is the InChIKey of 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
The InChIKey is WAGXVNBJJQUOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21IN6O3/c1-11-8-25-14-5-4-13(10-28(11)14)18-15(21-24-6-7-31-21)16(22)17(23)19(27-18)20(29)26-9-12(2)30-3/h4-8,10,12H,9,23H2,1-3H3,(H,26,29).
What are the key properties of 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide?
3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide has a molecular weight of 532.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-iodo-N-(2-methoxypropyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146386509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).