(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C20H16F2N4O2 — CID 118241113

IUPAC(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C20H16F2N4O2/c1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25/h2-5,8-10H,6-7,11H2,1H3
InChIKeyQBQFYRGEYCAYFS-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.93
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241113) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118241113
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1
InChIInChI=1S/C20H16F2N4O2/c1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25/h2-5,8-10H,6-7,11H2,1H3
InChIKeyQBQFYRGEYCAYFS-UHFFFAOYSA-N
XLogP3.93
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241113) is (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC(F)(F)C5)n4c3)ccc2o1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is QBQFYRGEYCAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-12-24-15-8-13(2-4-17(15)28-12)14-3-5-18-23-9-16(26(18)10-14)19(27)25-7-6-20(21,22)11-25/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 382.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).