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

C19H16F3N7O3 — CID 146380254

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCCOC(F)(F)F)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C19H16F3N7O3/c1-10-8-26-12-3-2-11(9-29(10)12)13-14(18-25-4-6-31-18)28-16(23)15(27-13)17(30)24-5-7-32-19(20,21)22/h2-4,6,8-9H,5,7H2,1H3,(H2,23,28)(H,24,30)
InChIKeyNYFKVFSOFNXRIG-UHFFFAOYSA-N
MW447.38 g/mol
LogP2.60
Rot. Bonds6

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

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 146380254) has the molecular formula C19H16F3N7O3 and a molecular weight of 447.38 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide
PubChem CID146380254
Molecular FormulaC19H16F3N7O3
Molecular Weight447.38 g/mol
Exact Mass447.13
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCCOC(F)(F)F)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C19H16F3N7O3/c1-10-8-26-12-3-2-11(9-29(10)12)13-14(18-25-4-6-31-18)28-16(23)15(27-13)17(30)24-5-7-32-19(20,21)22/h2-4,6,8-9H,5,7H2,1H3,(H2,23,28)(H,24,30)
InChIKeyNYFKVFSOFNXRIG-UHFFFAOYSA-N
XLogP2.60
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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)-N-(oxan-4-ylmethyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 146380252
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-(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-[(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
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
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
3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209302
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
5-[3-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-oxopropyl]-1-methylpyrrolidin-2-one
CID 157417948
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 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) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCCOC(F)(F)F)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is NYFKVFSOFNXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O3/c1-10-8-26-12-3-2-11(9-29(10)12)13-14(18-25-4-6-31-18)28-16(23)15(27-13)17(30)24-5-7-32-19(20,21)22/h2-4,6,8-9H,5,7H2,1H3,(H2,23,28)(H,24,30).
What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide?
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 447.38 g/mol, XLogP of 2.60, 6 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)-5-(1,3-oxazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 146380254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).