3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]

C27H23N3O2 — CID 53356497

IUPAC3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]
SMILESCc1nn(-c2ccccc2)c2c1C1(OCCO1)C(c1ccccc1)(c1ccccc1)C=N2
InChIInChI=1S/C27H23N3O2/c1-20-24-25(30(29-20)23-15-9-4-10-16-23)28-19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27(24)31-17-18-32-27/h2-16,19H,17-18H2,1H3
InChIKeyGIILBEAREAVRKY-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.08
Rot. Bonds3

About 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]

3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] (PubChem CID 53356497) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine].

Molecular Properties

Compound Name3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]
PubChem CID53356497
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]
SMILESCc1nn(-c2ccccc2)c2c1C1(OCCO1)C(c1ccccc1)(c1ccccc1)C=N2
InChIInChI=1S/C27H23N3O2/c1-20-24-25(30(29-20)23-15-9-4-10-16-23)28-19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27(24)31-17-18-32-27/h2-16,19H,17-18H2,1H3
InChIKeyGIILBEAREAVRKY-UHFFFAOYSA-N
XLogP5.08
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] with MolForge

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Related Compounds

6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]
CID 53356494
(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
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine
CID 2324623
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
CID 2465684
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 22728601
3-methyl-1-phenylspiro[8H-pyrazolo[5,4-e][1,4]thiazepine-4,1'-cyclohexane]-7-one
CID 154724621
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
4-(4,4-dimethylcyclohexen-1-yl)-3-methyl-1-phenylpyrazol-5-amine
CID 172875793

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]?
The IUPAC name of 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] (CID 53356497) is 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine].
What is the SMILES notation for 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]?
The canonical SMILES for 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] is Cc1nn(-c2ccccc2)c2c1C1(OCCO1)C(c1ccccc1)(c1ccccc1)C=N2.
What is the InChIKey of 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]?
The InChIKey is GIILBEAREAVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-20-24-25(30(29-20)23-15-9-4-10-16-23)28-19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)27(24)31-17-18-32-27/h2-16,19H,17-18H2,1H3.
What are the key properties of 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]?
3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] has a molecular weight of 421.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine] is sourced from PubChem (CID 53356497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).