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

C23H24F2N8 — CID 139344526

IUPAC6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESC[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(N5CC(F)(F)C5)cn34)n2)C1
InChIInChI=1S/C23H24F2N8/c1-15-6-16(17-7-28-29-8-17)11-31(10-15)22-26-5-4-19(30-22)20-9-27-21-3-2-18(12-33(20)21)32-13-23(24,25)14-32/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3,(H,28,29)/t15-,16-/m1/s1
InChIKeyQSWDWHVAGOEQRG-HZPDHXFCSA-N
MW450.50 g/mol
LogP3.60
Rot. Bonds4

About 6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 139344526) has the molecular formula C23H24F2N8 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID139344526
Molecular FormulaC23H24F2N8
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESC[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(N5CC(F)(F)C5)cn34)n2)C1
InChIInChI=1S/C23H24F2N8/c1-15-6-16(17-7-28-29-8-17)11-31(10-15)22-26-5-4-19(30-22)20-9-27-21-3-2-18(12-33(20)21)32-13-23(24,25)14-32/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3,(H,28,29)/t15-,16-/m1/s1
InChIKeyQSWDWHVAGOEQRG-HZPDHXFCSA-N
XLogP3.60
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.60
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-[2-[(3R,5S)-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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (CID 139344526) is 6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-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-[2-[(3R,5S)-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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(N5CC(F)(F)C5)cn34)n2)C1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is QSWDWHVAGOEQRG-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H24F2N8/c1-15-6-16(17-7-28-29-8-17)11-31(10-15)22-26-5-4-19(30-22)20-9-27-21-3-2-18(12-33(20)21)32-13-23(24,25)14-32/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3,(H,28,29)/t15-,16-/m1/s1.
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 450.50 g/mol, XLogP of 3.60, 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-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).