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

C24H25ClN6O — CID 168978532

IUPAC5-[4-chloro-6-[(5S)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cc(Cl)c3cc(N4C[C@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H25ClN6O/c1-13-10-31(12-24(28-13)4-5-24)16-7-17-19(25)8-20(27-23(17)26-9-16)18-6-15-11-30(3)29-21(15)14(2)22(18)32/h6-9,11,13,28,32H,4-5,10,12H2,1-3H3/t13-/m0/s1
InChIKeyUYZBXAXTTFJDHS-ZDUSSCGKSA-N
MW448.96 g/mol
LogP4.18
Rot. Bonds2

About 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

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 (PubChem CID 168978532) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[4-chloro-6-[(5S)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
PubChem CID168978532
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name5-[4-chloro-6-[(5S)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
SMILESCc1c(O)c(-c2cc(Cl)c3cc(N4C[C@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc12
InChIInChI=1S/C24H25ClN6O/c1-13-10-31(12-24(28-13)4-5-24)16-7-17-19(25)8-20(27-23(17)26-9-16)18-6-15-11-30(3)29-21(15)14(2)22(18)32/h6-9,11,13,28,32H,4-5,10,12H2,1-3H3/t13-/m0/s1
InChIKeyUYZBXAXTTFJDHS-ZDUSSCGKSA-N
XLogP4.18
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(O)c(-c2cc(Cl)c3cc(N4C[C@H](C)NC5(CC5)C4)cnc3n2)cc2cn(C)nc12.
What is the InChIKey of 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?
The InChIKey is UYZBXAXTTFJDHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-13-10-31(12-24(28-13)4-5-24)16-7-17-19(25)8-20(27-23(17)26-9-16)18-6-15-11-30(3)29-21(15)14(2)22(18)32/h6-9,11,13,28,32H,4-5,10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 448.96 g/mol, XLogP of 4.18, 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-[(5S)-5-methyl-4,7-diazaspiro[2.5]octan-7-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 168978532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).