6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]

C24H25FN4 — CID 2465684

IUPAC6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
SMILESCc1nn(-c2ccccc2)c2c1C1(CCCCC1)N(C)C(c1ccccc1F)=N2
InChIInChI=1S/C24H25FN4/c1-17-21-23(29(27-17)18-11-5-3-6-12-18)26-22(19-13-7-8-14-20(19)25)28(2)24(21)15-9-4-10-16-24/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3
InChIKeyGSZMVMWZNCIYMB-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.50
Rot. Bonds2

About 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]

6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] (PubChem CID 2465684) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine].

Molecular Properties

Compound Name6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
PubChem CID2465684
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
SMILESCc1nn(-c2ccccc2)c2c1C1(CCCCC1)N(C)C(c1ccccc1F)=N2
InChIInChI=1S/C24H25FN4/c1-17-21-23(29(27-17)18-11-5-3-6-12-18)26-22(19-13-7-8-14-20(19)25)28(2)24(21)15-9-4-10-16-24/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3
InChIKeyGSZMVMWZNCIYMB-UHFFFAOYSA-N
XLogP5.50
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] with MolForge

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Related Compounds

(4S)-6-(2-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
CID 2455127
1-ethoxy-3-(2-fluorophenyl)-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 2323959
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
(4R)-5-cyclopropyl-6-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrazolo[5,4-d]pyrimidine
CID 2538108
3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine
CID 2324623
3-methyl-1-phenylspiro[8H-pyrazolo[5,4-e][1,4]thiazepine-4,1'-cyclohexane]-7-one
CID 154724621
(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
CID 1120801
4-[(1S)-1-(2-bromo-4-nitrophenyl)imino-3-(2-fluorophenyl)-2,7-dimethyl-5-phenylpyrazolo[4,5-c][1,5,2]diazaphosphinin-1-yl]morpholine
CID 99666578
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90507602
4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole
CID 11681134
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
2-cyclopropyl-3-(2-fluorophenyl)-7-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxy-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 4082854

Frequently Asked Questions

What is the IUPAC name of 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]?
The IUPAC name of 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] (CID 2465684) is 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine].
What is the SMILES notation for 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]?
The canonical SMILES for 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] is Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N(C)C(c1ccccc1F)=N2.
What is the InChIKey of 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]?
The InChIKey is GSZMVMWZNCIYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4/c1-17-21-23(29(27-17)18-11-5-3-6-12-18)26-22(19-13-7-8-14-20(19)25)28(2)24(21)15-9-4-10-16-24/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3.
What are the key properties of 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]?
6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] has a molecular weight of 388.49 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine] is sourced from PubChem (CID 2465684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).