7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine

C18H17Cl3N4 — CID 118878750

IUPAC7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CN2CCC[C@H](c3nc4nccc(Cl)c4[nH]3)C2)c(Cl)c1
InChIInChI=1S/C18H17Cl3N4/c19-13-4-3-11(15(21)8-13)9-25-7-1-2-12(10-25)17-23-16-14(20)5-6-22-18(16)24-17/h3-6,8,12H,1-2,7,9-10H2,(H,22,23,24)/t12-/m0/s1
InChIKeyWJSBXIAKDIWUIN-LBPRGKRZSA-N
MW395.72 g/mol
LogP5.30
Rot. Bonds3

About 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine

7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 118878750) has the molecular formula C18H17Cl3N4 and a molecular weight of 395.72 g/mol. Its IUPAC name is 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID118878750
Molecular FormulaC18H17Cl3N4
Molecular Weight395.72 g/mol
Exact Mass394.05
IUPAC Name7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CN2CCC[C@H](c3nc4nccc(Cl)c4[nH]3)C2)c(Cl)c1
InChIInChI=1S/C18H17Cl3N4/c19-13-4-3-11(15(21)8-13)9-25-7-1-2-12(10-25)17-23-16-14(20)5-6-22-18(16)24-17/h3-6,8,12H,1-2,7,9-10H2,(H,22,23,24)/t12-/m0/s1
InChIKeyWJSBXIAKDIWUIN-LBPRGKRZSA-N
XLogP5.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine 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 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine (CID 118878750) is 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine is Clc1ccc(CN2CCC[C@H](c3nc4nccc(Cl)c4[nH]3)C2)c(Cl)c1.
What is the InChIKey of 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is WJSBXIAKDIWUIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17Cl3N4/c19-13-4-3-11(15(21)8-13)9-25-7-1-2-12(10-25)17-23-16-14(20)5-6-22-18(16)24-17/h3-6,8,12H,1-2,7,9-10H2,(H,22,23,24)/t12-/m0/s1.
What are the key properties of 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine?
7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 395.72 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118878750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).