5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol

C20H18ClFN6O — CID 168978332

IUPAC5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)c(O)c(F)c2n1
InChIInChI=1S/C20H18ClFN6O/c1-27-10-11-6-14(19(29)17(22)18(11)26-27)16-8-15(21)13-7-12(9-24-20(13)25-16)28-4-2-23-3-5-28/h6-10,23,29H,2-5H2,1H3
InChIKeyIOMZQXGKFVXRGL-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol

5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol (PubChem CID 168978332) has the molecular formula C20H18ClFN6O and a molecular weight of 412.86 g/mol. Its IUPAC name is 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol.

Molecular Properties

Compound Name5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol
PubChem CID168978332
Molecular FormulaC20H18ClFN6O
Molecular Weight412.86 g/mol
Exact Mass412.12
IUPAC Name5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol
SMILESCn1cc2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)c(O)c(F)c2n1
InChIInChI=1S/C20H18ClFN6O/c1-27-10-11-6-14(19(29)17(22)18(11)26-27)16-8-15(21)13-7-12(9-24-20(13)25-16)28-4-2-23-3-5-28/h6-10,23,29H,2-5H2,1H3
InChIKeyIOMZQXGKFVXRGL-UHFFFAOYSA-N
XLogP3.09
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol with MolForge

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Related Compounds

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
2,7-dimethyl-5-(4-methyl-6-piperazin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978289
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
2-(6-hydroxy-2,7-dimethylindazol-5-yl)-N-methyl-6-piperazin-1-yl-1,8-naphthyridine-4-carboxamide
CID 168978936
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
7-fluoro-2-methyl-5-[4-(methylamino)-6-piperazin-1-ylquinazolin-2-yl]indazol-6-ol
CID 177078744
5-[6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxypyrido[2,3-d]pyrimidin-2-yl]-7-fluoro-2-methylindazol-6-ol
CID 170011125
4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
CID 168979090
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 170012675
2,7-dimethyl-5-(6-pyrrolidin-1-yl-1,8-naphthyridin-2-yl)indazol-6-ol
CID 168978796
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol?
The IUPAC name of 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol (CID 168978332) is 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol.
What is the SMILES notation for 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol?
The canonical SMILES for 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol is Cn1cc2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)c(O)c(F)c2n1.
What is the InChIKey of 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol?
The InChIKey is IOMZQXGKFVXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6O/c1-27-10-11-6-14(19(29)17(22)18(11)26-27)16-8-15(21)13-7-12(9-24-20(13)25-16)28-4-2-23-3-5-28/h6-10,23,29H,2-5H2,1H3.
What are the key properties of 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol?
5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol has a molecular weight of 412.86 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol is sourced from PubChem (CID 168978332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).