(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone

C23H21F2N5O3 — CID 151613858

IUPAC(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C23H21F2N5O3/c1-28-11-16(9-27-28)14-4-5-30-17(10-26-20(30)8-14)15-6-18(32-2)21(19(7-15)33-3)22(31)29-12-23(24,25)13-29/h4-11H,12-13H2,1-3H3
InChIKeyQNBOOPICAQOKPE-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.51
Rot. Bonds5

About (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone

(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone (PubChem CID 151613858) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone
PubChem CID151613858
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone
SMILESCOc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C23H21F2N5O3/c1-28-11-16(9-27-28)14-4-5-30-17(10-26-20(30)8-14)15-6-18(32-2)21(19(7-15)33-3)22(31)29-12-23(24,25)13-29/h4-11H,12-13H2,1-3H3
InChIKeyQNBOOPICAQOKPE-UHFFFAOYSA-N
XLogP3.51
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone (CID 151613858) is (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone is COc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc(OC)c1C(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone?
The InChIKey is QNBOOPICAQOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-28-11-16(9-27-28)14-4-5-30-17(10-26-20(30)8-14)15-6-18(32-2)21(19(7-15)33-3)22(31)29-12-23(24,25)13-29/h4-11H,12-13H2,1-3H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone?
(3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone has a molecular weight of 453.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone is sourced from PubChem (CID 151613858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).