4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one

C25H23F2N5O2 — CID 167701246

IUPAC4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
SMILESCC(C)c1cnn2ccc(-c3nc(Cc4ccc(N5CCOCC5=O)cc4F)ncc3F)cc12
InChIInChI=1S/C25H23F2N5O2/c1-15(2)19-12-29-32-6-5-17(9-22(19)32)25-21(27)13-28-23(30-25)10-16-3-4-18(11-20(16)26)31-7-8-34-14-24(31)33/h3-6,9,11-13,15H,7-8,10,14H2,1-2H3
InChIKeyYKOVXNWPMILLKV-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.15
Rot. Bonds5

About 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one

4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one (PubChem CID 167701246) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
PubChem CID167701246
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one
SMILESCC(C)c1cnn2ccc(-c3nc(Cc4ccc(N5CCOCC5=O)cc4F)ncc3F)cc12
InChIInChI=1S/C25H23F2N5O2/c1-15(2)19-12-29-32-6-5-17(9-22(19)32)25-21(27)13-28-23(30-25)10-16-3-4-18(11-20(16)26)31-7-8-34-14-24(31)33/h3-6,9,11-13,15H,7-8,10,14H2,1-2H3
InChIKeyYKOVXNWPMILLKV-UHFFFAOYSA-N
XLogP4.15
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one with MolForge

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 7
CID 44232914
Pyrazolo pyrimidine, 15
CID 44233162
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44606133
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(9-Methyl-7-pyridin-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)morpholine
CID 712798
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713
3-[2-(Cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10297402
2,6-difluoro-N-[3-[3-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529350
methyl 4-(6-(4-aminophenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 44605035
N-Methyl-N-[4-(4-morpholin-4-yl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]acetamide
CID 44606818

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one?
The IUPAC name of 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one (CID 167701246) is 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one is CC(C)c1cnn2ccc(-c3nc(Cc4ccc(N5CCOCC5=O)cc4F)ncc3F)cc12.
What is the InChIKey of 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one?
The InChIKey is YKOVXNWPMILLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-15(2)19-12-29-32-6-5-17(9-22(19)32)25-21(27)13-28-23(30-25)10-16-3-4-18(11-20(16)26)31-7-8-34-14-24(31)33/h3-6,9,11-13,15H,7-8,10,14H2,1-2H3.
What are the key properties of 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one?
4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one has a molecular weight of 463.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[[5-fluoro-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-yl]methyl]phenyl]morpholin-3-one is sourced from PubChem (CID 167701246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).