5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

C23H16ClFN6O — CID 108771992

IUPAC5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESFc1ccc(-c2onc3c2CN(c2ncnc4c2cnn4-c2cccc(Cl)c2)CC3)cc1
InChIInChI=1S/C23H16ClFN6O/c24-15-2-1-3-17(10-15)31-23-18(11-28-31)22(26-13-27-23)30-9-8-20-19(12-30)21(32-29-20)14-4-6-16(25)7-5-14/h1-7,10-11,13H,8-9,12H2
InChIKeyNNCKSIOIZQCRGP-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.83
Rot. Bonds3

About 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine

5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 108771992) has the molecular formula C23H16ClFN6O and a molecular weight of 446.87 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
PubChem CID108771992
Molecular FormulaC23H16ClFN6O
Molecular Weight446.87 g/mol
Exact Mass446.11
IUPAC Name5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
SMILESFc1ccc(-c2onc3c2CN(c2ncnc4c2cnn4-c2cccc(Cl)c2)CC3)cc1
InChIInChI=1S/C23H16ClFN6O/c24-15-2-1-3-17(10-15)31-23-18(11-28-31)22(26-13-27-23)30-9-8-20-19(12-30)21(32-29-20)14-4-6-16(25)7-5-14/h1-7,10-11,13H,8-9,12H2
InChIKeyNNCKSIOIZQCRGP-UHFFFAOYSA-N
XLogP4.83
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine with MolForge

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Related Compounds

4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46830196
3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
3-(4-Chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
CID 25204930
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884001
3-[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 126592018
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883934
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883998
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46883999
1-benzyl-4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884000
4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884030
4-chloro-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46884031
3-(2-Chlorophenyl)-7-[4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-1,2-benzoxazole
CID 71544321

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine (CID 108771992) is 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is Fc1ccc(-c2onc3c2CN(c2ncnc4c2cnn4-c2cccc(Cl)c2)CC3)cc1.
What is the InChIKey of 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is NNCKSIOIZQCRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O/c24-15-2-1-3-17(10-15)31-23-18(11-28-31)22(26-13-27-23)30-9-8-20-19(12-30)21(32-29-20)14-4-6-16(25)7-5-14/h1-7,10-11,13H,8-9,12H2.
What are the key properties of 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine?
5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 446.87 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 108771992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).