3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine

C22H23F2N3O3S — CID 72720583

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O3S/c1-15-19(13-17-5-3-4-6-20(17)30-22(23)24)27-14-18(7-8-21(27)25-15)16-9-11-26(12-10-16)31(2,28)29/h3-9,14,22H,10-13H2,1-2H3
InChIKeyKKMWFQJNXJEGAU-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.88
Rot. Bonds6

About 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine

3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine (PubChem CID 72720583) has the molecular formula C22H23F2N3O3S and a molecular weight of 447.51 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine
PubChem CID72720583
Molecular FormulaC22H23F2N3O3S
Molecular Weight447.51 g/mol
Exact Mass447.14
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O3S/c1-15-19(13-17-5-3-4-6-20(17)30-22(23)24)27-14-18(7-8-21(27)25-15)16-9-11-26(12-10-16)31(2,28)29/h3-9,14,22H,10-13H2,1-2H3
InChIKeyKKMWFQJNXJEGAU-UHFFFAOYSA-N
XLogP3.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine (CID 72720583) is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine is Cc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is KKMWFQJNXJEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3S/c1-15-19(13-17-5-3-4-6-20(17)30-22(23)24)27-14-18(7-8-21(27)25-15)16-9-11-26(12-10-16)31(2,28)29/h3-9,14,22H,10-13H2,1-2H3.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine?
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 447.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 72720583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).