6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

C24H26F2N8 — CID 139344473

IUPAC6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1
InChIInChI=1S/C24H26F2N8/c1-15-5-17(18-7-28-29-8-18)11-32(10-15)23-30-16(2)6-20(31-23)21-9-27-22-4-3-19(12-34(21)22)33-13-24(25,26)14-33/h3-4,6-9,12,15,17H,5,10-11,13-14H2,1-2H3,(H,28,29)/t15-,17+/m1/s1
InChIKeySGYMGYOQNVIGRX-WBVHZDCISA-N
MW464.52 g/mol
LogP3.91
Rot. Bonds4

About 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 139344473) has the molecular formula C24H26F2N8 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID139344473
Molecular FormulaC24H26F2N8
Molecular Weight464.52 g/mol
Exact Mass464.22
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1
InChIInChI=1S/C24H26F2N8/c1-15-5-17(18-7-28-29-8-18)11-32(10-15)23-30-16(2)6-20(31-23)21-9-27-22-4-3-19(12-34(21)22)33-13-24(25,26)14-33/h3-4,6-9,12,15,17H,5,10-11,13-14H2,1-2H3,(H,28,29)/t15-,17+/m1/s1
InChIKeySGYMGYOQNVIGRX-WBVHZDCISA-N
XLogP3.91
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (CID 139344473) is 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is Cc1cc(-c2cnc3ccc(N4CC(F)(F)C4)cn23)nc(N2C[C@H](C)C[C@H](c3cn[nH]c3)C2)n1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is SGYMGYOQNVIGRX-WBVHZDCISA-N. The full InChI is InChI=1S/C24H26F2N8/c1-15-5-17(18-7-28-29-8-18)11-32(10-15)23-30-16(2)6-20(31-23)21-9-27-22-4-3-19(12-34(21)22)33-13-24(25,26)14-33/h3-4,6-9,12,15,17H,5,10-11,13-14H2,1-2H3,(H,28,29)/t15-,17+/m1/s1.
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 464.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).