2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline

C25H25N5 — CID 167037195

IUPAC2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline
SMILESC=Cc1c(N2CCC3(CNC3)C2)nc2ccccc2c1-c1c(C)ccc2[nH]ncc12
InChIInChI=1S/C25H25N5/c1-3-17-23(22-16(2)8-9-21-19(22)12-27-29-21)18-6-4-5-7-20(18)28-24(17)30-11-10-25(15-30)13-26-14-25/h3-9,12,26H,1,10-11,13-15H2,2H3,(H,27,29)
InChIKeyYDVASGJIWWFSAG-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.53
Rot. Bonds3

About 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline

2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline (PubChem CID 167037195) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline.

Molecular Properties

Compound Name2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline
PubChem CID167037195
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline
SMILESC=Cc1c(N2CCC3(CNC3)C2)nc2ccccc2c1-c1c(C)ccc2[nH]ncc12
InChIInChI=1S/C25H25N5/c1-3-17-23(22-16(2)8-9-21-19(22)12-27-29-21)18-6-4-5-7-20(18)28-24(17)30-11-10-25(15-30)13-26-14-25/h3-9,12,26H,1,10-11,13-15H2,2H3,(H,27,29)
InChIKeyYDVASGJIWWFSAG-UHFFFAOYSA-N
XLogP4.53
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline with MolForge

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Related Compounds

tert-butyl 7-[3-cyclopropyl-4-(5-methyl-1H-indazol-4-yl)quinolin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 167037877
4-(2,6-diazaspiro[3.4]octan-6-yl)-6-(5-methyl-1H-indazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)pyrimidine-5-carbonitrile
CID 146330535
4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-ethenyl-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)quinazoline
CID 167040895
tert-butyl 7-[3-cyano-4-(5-ethyl-1H-indazol-4-yl)quinolin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 167037439
6-chloro-4-(2,6-diazaspiro[3.4]octan-6-yl)-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 155682350
(1R,8S)-4-[2-(1-hydroxyprop-2-enyl)-2,7-diazaspiro[3.4]octan-7-yl]-6-(5-methyl-1H-indazol-4-yl)-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile
CID 167037505
4-(5-methyl-1H-indazol-4-yl)-6-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)pyrimidine-5-carboxamide
CID 146330567
1-[7-[4-(5-methyl-1H-indazol-4-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 146330627
1-[7-[7-methyl-4-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 167037347
(2R,4S)-10-(5-methyl-1H-indazol-4-yl)-8-(2-prop-2-enoyl-2,7-diazaspiro[3.4]octan-7-yl)-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene-9-carbonitrile
CID 170548516
1-[7-[5-isocyano-6-(5-methyl-1H-indazol-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 157479073
2-[2-[(E)-4-hydroxybut-2-enoyl]-2,7-diazaspiro[3.4]octan-7-yl]-7,7-dimethyl-4-(5-methyl-1H-indazol-4-yl)-6,8-dihydro-5H-quinoline-3-carbonitrile
CID 167037015

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline?
The IUPAC name of 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline (CID 167037195) is 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline.
What is the SMILES notation for 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline?
The canonical SMILES for 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline is C=Cc1c(N2CCC3(CNC3)C2)nc2ccccc2c1-c1c(C)ccc2[nH]ncc12.
What is the InChIKey of 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline?
The InChIKey is YDVASGJIWWFSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-3-17-23(22-16(2)8-9-21-19(22)12-27-29-21)18-6-4-5-7-20(18)28-24(17)30-11-10-25(15-30)13-26-14-25/h3-9,12,26H,1,10-11,13-15H2,2H3,(H,27,29).
What are the key properties of 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline?
2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline has a molecular weight of 395.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diazaspiro[3.4]octan-6-yl)-3-ethenyl-4-(5-methyl-1H-indazol-4-yl)quinoline is sourced from PubChem (CID 167037195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).