5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol

C27H32N6O — CID 168977762

IUPAC5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2nc(C3CCC3)c3cc(N4CC(C)NC(C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C27H32N6O/c1-15-12-33(13-16(2)28-15)20-8-9-23-21(11-20)25(18-6-5-7-18)30-27(29-23)22-10-19-14-32(4)31-24(19)17(3)26(22)34/h8-11,14-16,18,28,34H,5-7,12-13H2,1-4H3
InChIKeyICPVFMAODNJSKK-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.65
Rot. Bonds3

About 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol

5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168977762) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168977762
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2nc(C3CCC3)c3cc(N4CC(C)NC(C)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C27H32N6O/c1-15-12-33(13-16(2)28-15)20-8-9-23-21(11-20)25(18-6-5-7-18)30-27(29-23)22-10-19-14-32(4)31-24(19)17(3)26(22)34/h8-11,14-16,18,28,34H,5-7,12-13H2,1-4H3
InChIKeyICPVFMAODNJSKK-UHFFFAOYSA-N
XLogP4.65
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol with MolForge

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Related Compounds

5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carbonitrile
CID 168977109
5-[4-cyclopropyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinazolin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 168977475
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168978177
6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168977133
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
CID 168977057
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-ethyl-2-(6-hydroxy-2,7-dimethylindazol-5-yl)pyrido[3,2-d]pyrimidine-4-carboxamide
CID 177078834
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-pyridin-2-yl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978713
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol (CID 168977762) is 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2nc(C3CCC3)c3cc(N4CC(C)NC(C)C4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is ICPVFMAODNJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-15-12-33(13-16(2)28-15)20-8-9-23-21(11-20)25(18-6-5-7-18)30-27(29-23)22-10-19-14-32(4)31-24(19)17(3)26(22)34/h8-11,14-16,18,28,34H,5-7,12-13H2,1-4H3.
What are the key properties of 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol?
5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 456.59 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168977762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).