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

C26H29ClN6O2 — CID 168978653

IUPAC4-chloro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[(5R)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridine
SMILESCOCOc1c(-c2cc(Cl)c3cc(N4C[C@@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc2c1C
InChIInChI=1S/C26H29ClN6O2/c1-15-11-33(13-26(30-15)5-6-26)18-8-19-21(27)9-22(29-25(19)28-10-18)20-7-17-12-32(3)31-23(17)16(2)24(20)35-14-34-4/h7-10,12,15,30H,5-6,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyXJQCMTIJGCTFTR-OAHLLOKOSA-N
MW493.01 g/mol
LogP4.46
Rot. Bonds5

About 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

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 (PubChem CID 168978653) has the molecular formula C26H29ClN6O2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-chloro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[(5R)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridine
PubChem CID168978653
Molecular FormulaC26H29ClN6O2
Molecular Weight493.01 g/mol
Exact Mass492.20
IUPAC Name4-chloro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[(5R)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridine
SMILESCOCOc1c(-c2cc(Cl)c3cc(N4C[C@@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc2c1C
InChIInChI=1S/C26H29ClN6O2/c1-15-11-33(13-26(30-15)5-6-26)18-8-19-21(27)9-22(29-25(19)28-10-18)20-7-17-12-32(3)31-23(17)16(2)24(20)35-14-34-4/h7-10,12,15,30H,5-6,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyXJQCMTIJGCTFTR-OAHLLOKOSA-N
XLogP4.46
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 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 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-[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
4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
CID 168979041
2,7-dimethyl-5-[6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)quinazolin-2-yl]indazol-6-ol
CID 168977057
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
5-[4-chloro-6-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 170012675
6-(3,5-dimethylpiperazin-1-yl)-2-(6-hydroxy-2,7-dimethylindazol-5-yl)-1,8-naphthyridine-4-carbonitrile
CID 168979054
5-(4-chloro-6-piperazin-1-yl-1,8-naphthyridin-2-yl)-7-fluoro-2-methylindazol-6-ol
CID 168978332
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
tert-butyl (2S,6R)-4-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-b]pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978776

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCOc1c(-c2cc(Cl)c3cc(N4C[C@@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc2c1C.
What is the InChIKey of 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?
The InChIKey is XJQCMTIJGCTFTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H29ClN6O2/c1-15-11-33(13-26(30-15)5-6-26)18-8-19-21(27)9-22(29-25(19)28-10-18)20-7-17-12-32(3)31-23(17)16(2)24(20)35-14-34-4/h7-10,12,15,30H,5-6,11,13-14H2,1-4H3/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 493.01 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).