4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol

C24H30ClN3O2 — CID 167037892

IUPAC4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2c(C)c(N3CCC4(CNC4)C3)nc3c2COC(C)(C)C3)c1Cl
InChIInChI=1S/C24H30ClN3O2/c1-14-7-16(29)8-17(21(14)25)20-15(2)22(28-6-5-24(13-28)11-26-12-24)27-19-9-23(3,4)30-10-18(19)20/h7-8,26,29H,5-6,9-13H2,1-4H3
InChIKeyDFGSVNIOSMUVLR-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol

4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol (PubChem CID 167037892) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol.

Molecular Properties

Compound Name4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol
PubChem CID167037892
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2c(C)c(N3CCC4(CNC4)C3)nc3c2COC(C)(C)C3)c1Cl
InChIInChI=1S/C24H30ClN3O2/c1-14-7-16(29)8-17(21(14)25)20-15(2)22(28-6-5-24(13-28)11-26-12-24)27-19-9-23(3,4)30-10-18(19)20/h7-8,26,29H,5-6,9-13H2,1-4H3
InChIKeyDFGSVNIOSMUVLR-UHFFFAOYSA-N
XLogP4.38
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol?
The IUPAC name of 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol (CID 167037892) is 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol.
What is the SMILES notation for 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol?
The canonical SMILES for 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol is Cc1cc(O)cc(-c2c(C)c(N3CCC4(CNC4)C3)nc3c2COC(C)(C)C3)c1Cl.
What is the InChIKey of 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol?
The InChIKey is DFGSVNIOSMUVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-14-7-16(29)8-17(21(14)25)20-15(2)22(28-6-5-24(13-28)11-26-12-24)27-19-9-23(3,4)30-10-18(19)20/h7-8,26,29H,5-6,9-13H2,1-4H3.
What are the key properties of 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol?
4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol has a molecular weight of 427.98 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(2,6-diazaspiro[3.4]octan-6-yl)-3,7,7-trimethyl-5,8-dihydropyrano[4,3-b]pyridin-4-yl]-5-methylphenol is sourced from PubChem (CID 167037892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).