5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol

C24H28N6O — CID 168977838

IUPAC5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3C[C@@H](C)N[C@@H](C)C3)cc12
InChIInChI=1S/C24H28N6O/c1-13-10-30(11-14(2)25-13)18-6-7-21-19(9-18)16(4)26-24(27-21)20-8-17-12-29(5)28-22(17)15(3)23(20)31/h6-9,12-14,25,31H,10-11H2,1-5H3/t13-,14+
InChIKeyCOFKBRKBDCKHMW-OKILXGFUSA-N
MW416.53 g/mol
LogP3.69
Rot. Bonds2

About 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol

5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 168977838) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

Compound Name5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168977838
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3C[C@@H](C)N[C@@H](C)C3)cc12
InChIInChI=1S/C24H28N6O/c1-13-10-30(11-14(2)25-13)18-6-7-21-19(9-18)16(4)26-24(27-21)20-8-17-12-29(5)28-22(17)15(3)23(20)31/h6-9,12-14,25,31H,10-11H2,1-5H3/t13-,14+
InChIKeyCOFKBRKBDCKHMW-OKILXGFUSA-N
XLogP3.69
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-cyclobutyl-6-(3,5-dimethylpiperazin-1-yl)quinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977762
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carbonitrile
CID 168977109
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(7-fluoro-6-hydroxy-2-methylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168978177
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
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978120
6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168977133

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The IUPAC name of 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol (CID 168977838) is 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol.
What is the SMILES notation for 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The canonical SMILES for 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol is Cc1nc(-c2cc3cn(C)nc3c(C)c2O)nc2ccc(N3C[C@@H](C)N[C@@H](C)C3)cc12.
What is the InChIKey of 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol?
The InChIKey is COFKBRKBDCKHMW-OKILXGFUSA-N. The full InChI is InChI=1S/C24H28N6O/c1-13-10-30(11-14(2)25-13)18-6-7-21-19(9-18)16(4)26-24(27-21)20-8-17-12-29(5)28-22(17)15(3)23(20)31/h6-9,12-14,25,31H,10-11H2,1-5H3/t13-,14+.
What are the key properties of 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol?
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 416.53 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168977838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).