2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol

C24H26N6O — CID 168977057

IUPAC2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
SMILESCc1c(O)c(-c2ncc3cc(N4CC(C)NC5(CC5)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H26N6O/c1-14-11-30(13-24(27-14)6-7-24)18-4-5-20-16(8-18)10-25-23(26-20)19-9-17-12-29(3)28-21(17)15(2)22(19)31/h4-5,8-10,12,14,27,31H,6-7,11,13H2,1-3H3
InChIKeyVYKFQUGUTSRGJC-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.53
Rot. Bonds2

About 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol

2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol (PubChem CID 168977057) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol.

Molecular Properties

Compound Name2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
PubChem CID168977057
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
SMILESCc1c(O)c(-c2ncc3cc(N4CC(C)NC5(CC5)C4)ccc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H26N6O/c1-14-11-30(13-24(27-14)6-7-24)18-4-5-20-16(8-18)10-25-23(26-20)19-9-17-12-29(3)28-21(17)15(2)22(19)31/h4-5,8-10,12,14,27,31H,6-7,11,13H2,1-3H3
InChIKeyVYKFQUGUTSRGJC-UHFFFAOYSA-N
XLogP3.53
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol with MolForge

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Related Compounds

5-[4-chloro-6-[(5S)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978532
5-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methylquinazolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168977838
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-2-methylindazol-5-yl)quinazoline
CID 168977015
4-chloro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[(5R)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridine
CID 168978653
5-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-2,7-dimethylindazol-6-ol
CID 168978828
2,7-dimethyl-5-[6-(3-methylsulfanylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol
CID 168978404
2,7-dimethyl-5-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-2-yl]indazol-6-ol;hydrochloride
CID 168978903
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
6-[4-(dimethylamino)piperidin-1-yl]-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methylquinazoline-4-carboxamide
CID 168977133
5-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-8-fluoroquinolin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978120
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol?
The IUPAC name of 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol (CID 168977057) is 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol.
What is the SMILES notation for 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol?
The canonical SMILES for 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol is Cc1c(O)c(-c2ncc3cc(N4CC(C)NC5(CC5)C4)ccc3n2)cc2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol?
The InChIKey is VYKFQUGUTSRGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-14-11-30(13-24(27-14)6-7-24)18-4-5-20-16(8-18)10-25-23(26-20)19-9-17-12-29(3)28-21(17)15(2)22(19)31/h4-5,8-10,12,14,27,31H,6-7,11,13H2,1-3H3.
What are the key properties of 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol?
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol has a molecular weight of 414.51 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol is sourced from PubChem (CID 168977057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).