5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol

C23H25ClN6O — CID 170012675

IUPAC5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESC[C@@H]1CN(c2cnc3nc(-c4cc5cn(C)nc5cc4O)cc(Cl)c3c2)C[C@@H](C)N1C
InChIInChI=1S/C23H25ClN6O/c1-13-10-30(11-14(2)29(13)4)16-6-17-19(24)7-21(26-23(17)25-9-16)18-5-15-12-28(3)27-20(15)8-22(18)31/h5-9,12-14,31H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyZNVJRTLIQROMTN-ZIAGYGMSSA-N
MW436.95 g/mol
LogP4.07
Rot. Bonds2

About 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol

5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol (PubChem CID 170012675) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
PubChem CID170012675
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
SMILESC[C@@H]1CN(c2cnc3nc(-c4cc5cn(C)nc5cc4O)cc(Cl)c3c2)C[C@@H](C)N1C
InChIInChI=1S/C23H25ClN6O/c1-13-10-30(11-14(2)29(13)4)16-6-17-19(24)7-21(26-23(17)25-9-16)18-5-15-12-28(3)27-20(15)8-22(18)31/h5-9,12-14,31H,10-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyZNVJRTLIQROMTN-ZIAGYGMSSA-N
XLogP4.07
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-chloro-6-(3,5-dimethylpiperazin-1-yl)-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978379
5-[4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978839
5-[6-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]-4-chloro-1,8-naphthyridin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 168978359
5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol
CID 168978332
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-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]quinazolin-6-yl]-2-methylindazol-6-ol
CID 168977488
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-[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-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168976998
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168977071
6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(6-hydroxy-2-methylindazol-5-yl)quinazoline-4-carboxamide
CID 168976916
2-methyl-5-[6-[(3S)-pyrrolidin-3-yl]oxy-1,8-naphthyridin-2-yl]indazol-6-ol
CID 170011837

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol?
The IUPAC name of 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol (CID 170012675) is 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol.
What is the SMILES notation for 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol?
The canonical SMILES for 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol is C[C@@H]1CN(c2cnc3nc(-c4cc5cn(C)nc5cc4O)cc(Cl)c3c2)C[C@@H](C)N1C.
What is the InChIKey of 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol?
The InChIKey is ZNVJRTLIQROMTN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-13-10-30(11-14(2)29(13)4)16-6-17-19(24)7-21(26-23(17)25-9-16)18-5-15-12-28(3)27-20(15)8-22(18)31/h5-9,12-14,31H,10-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol?
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol has a molecular weight of 436.95 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 170012675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).