2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

C19H13FN8O2 — CID 166507424

IUPAC2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(On4nnc5ccccc54)nc3)cc(F)c2n1
InChIInChI=1S/C19H13FN8O2/c1-11-9-27-10-13(6-14(20)17(27)23-11)24-18(29)12-7-21-19(22-8-12)30-28-16-5-3-2-4-15(16)25-26-28/h2-10H,1H3,(H,24,29)
InChIKeyBOHODHGRZJOJIL-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.41
Rot. Bonds4

About 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide

2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (PubChem CID 166507424) has the molecular formula C19H13FN8O2 and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
PubChem CID166507424
Molecular FormulaC19H13FN8O2
Molecular Weight404.37 g/mol
Exact Mass404.11
IUPAC Name2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3cnc(On4nnc5ccccc54)nc3)cc(F)c2n1
InChIInChI=1S/C19H13FN8O2/c1-11-9-27-10-13(6-14(20)17(27)23-11)24-18(29)12-7-21-19(22-8-12)30-28-16-5-3-2-4-15(16)25-26-28/h2-10H,1H3,(H,24,29)
InChIKeyBOHODHGRZJOJIL-UHFFFAOYSA-N
XLogP2.41
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 166507578
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134
CID 156845164
CID 156845164
CID 167500186
CID 167500186
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
CID 59246660
methyl 8-fluoro-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 154869268
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747701
6-(benzotriazol-1-yloxy)-5-fluoro-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 59246718
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide
CID 167500596
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(1-methylpyrrolidin-3-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747778
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazine-2-carboxamide
CID 166507495

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide (CID 166507424) is 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is Cc1cn2cc(NC(=O)c3cnc(On4nnc5ccccc54)nc3)cc(F)c2n1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
The InChIKey is BOHODHGRZJOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN8O2/c1-11-9-27-10-13(6-14(20)17(27)23-11)24-18(29)12-7-21-19(22-8-12)30-28-16-5-3-2-4-15(16)25-26-28/h2-10H,1H3,(H,24,29).
What are the key properties of 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide?
2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166507424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).