5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

C22H18FN5O — CID 137373573

IUPAC5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC(F)C4CC4)o3)cc2n1
InChIInChI=1S/C22H18FN5O/c1-13-12-28-7-6-15(8-20(28)26-13)22-17(5-4-16(10-24)27-22)19-11-25-21(29-19)9-18(23)14-2-3-14/h4-8,11-12,14,18H,2-3,9H2,1H3
InChIKeyHLAJYFHPEQSEJJ-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.52
Rot. Bonds5

About 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile

5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 137373573) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
PubChem CID137373573
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC(F)C4CC4)o3)cc2n1
InChIInChI=1S/C22H18FN5O/c1-13-12-28-7-6-15(8-20(28)26-13)22-17(5-4-16(10-24)27-22)19-11-25-21(29-19)9-18(23)14-2-3-14/h4-8,11-12,14,18H,2-3,9H2,1H3
InChIKeyHLAJYFHPEQSEJJ-UHFFFAOYSA-N
XLogP4.52
TPSA80.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile (CID 137373573) is 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3-c3cnc(CC(F)C4CC4)o3)cc2n1.
What is the InChIKey of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
The InChIKey is HLAJYFHPEQSEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-13-12-28-7-6-15(8-20(28)26-13)22-17(5-4-16(10-24)27-22)19-11-25-21(29-19)9-18(23)14-2-3-14/h4-8,11-12,14,18H,2-3,9H2,1H3.
What are the key properties of 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile?
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 387.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 137373573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).