6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone

C20H18Cl2N4O — CID 162666864

IUPAC6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)C1
InChIInChI=1S/C20H18Cl2N4O/c21-14-5-4-13(11-15(14)22)26-17-16(3-1-9-23-17)24-18(26)19(27)25-10-8-20(12-25)6-2-7-20/h1,3-5,9,11H,2,6-8,10,12H2
InChIKeyLRAMFDBWJAUQGJ-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.74
Rot. Bonds2

About 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone

6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 162666864) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
PubChem CID162666864
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
SMILESO=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)C1
InChIInChI=1S/C20H18Cl2N4O/c21-14-5-4-13(11-15(14)22)26-17-16(3-1-9-23-17)24-18(26)19(27)25-10-8-20(12-25)6-2-7-20/h1,3-5,9,11H,2,6-8,10,12H2
InChIKeyLRAMFDBWJAUQGJ-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-N,N-dipropyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390227
2-(4-Chlorophenyl)-N,N-dibutyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390306
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
CID 14390388
N-(3,4-dichlorophenyl)-2-[2-(2-pyridyl)benzimidazol-1-yl]acetamide
CID 44024167
N-Cyclopropyl-3-(3,4-dichlorophenyl)-3H-imidazo[4,5-b]pyridine-2-carboxamide
CID 90343287
(S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(4-(pyridin-4-yl)piperidin-1-yl)propan-1-one
CID 53325248
(S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(4-(pyrazin-2-yl)piperidin-1-yl)propan-1-one
CID 53326530
N-(2,3-dichlorophenyl)-2-[4-[6-(2-methylimidazol-1-yl)-3-pyridinyl]triazol-1-yl]acetamide
CID 134151189
[3-(3,4-Dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 162657389
Azetidin-1-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone
CID 162659990
3-(3,4-dichlorophenyl)-N-(3-fluorocyclobutyl)imidazo[4,5-b]pyridine-2-carboxamide
CID 162661928
[3-(3,4-Dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 162663642

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone (CID 162666864) is 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone is O=C(c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone?
The InChIKey is LRAMFDBWJAUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c21-14-5-4-13(11-15(14)22)26-17-16(3-1-9-23-17)24-18(26)19(27)25-10-8-20(12-25)6-2-7-20/h1,3-5,9,11H,2,6-8,10,12H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone?
6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 401.30 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-[3-(3,4-dichlorophenyl)imidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 162666864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).