(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide

C17H23Cl2N5O — CID 171106981

IUPAC(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide
SMILESCNC(=O)[C@H]1CC(n2cnc3c(Cl)c(CC(C)N)c(Cl)nc32)CC1C
InChIInChI=1S/C17H23Cl2N5O/c1-8-4-10(6-11(8)17(25)21-3)24-7-22-14-13(18)12(5-9(2)20)15(19)23-16(14)24/h7-11H,4-6,20H2,1-3H3,(H,21,25)/t8?,9?,10?,11-/m0/s1
InChIKeyXVEPDSAHGQKPSX-QUBJWBRDSA-N
MW384.31 g/mol
LogP2.96
Rot. Bonds4

About (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide

(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide (PubChem CID 171106981) has the molecular formula C17H23Cl2N5O and a molecular weight of 384.31 g/mol. Its IUPAC name is (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide
PubChem CID171106981
Molecular FormulaC17H23Cl2N5O
Molecular Weight384.31 g/mol
Exact Mass383.13
IUPAC Name(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide
SMILESCNC(=O)[C@H]1CC(n2cnc3c(Cl)c(CC(C)N)c(Cl)nc32)CC1C
InChIInChI=1S/C17H23Cl2N5O/c1-8-4-10(6-11(8)17(25)21-3)24-7-22-14-13(18)12(5-9(2)20)15(19)23-16(14)24/h7-11H,4-6,20H2,1-3H3,(H,21,25)/t8?,9?,10?,11-/m0/s1
InChIKeyXVEPDSAHGQKPSX-QUBJWBRDSA-N
XLogP2.96
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide (CID 171106981) is (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide is CNC(=O)[C@H]1CC(n2cnc3c(Cl)c(CC(C)N)c(Cl)nc32)CC1C.
What is the InChIKey of (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is XVEPDSAHGQKPSX-QUBJWBRDSA-N. The full InChI is InChI=1S/C17H23Cl2N5O/c1-8-4-10(6-11(8)17(25)21-3)24-7-22-14-13(18)12(5-9(2)20)15(19)23-16(14)24/h7-11H,4-6,20H2,1-3H3,(H,21,25)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide?
(1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[6-(2-aminopropyl)-5,7-dichloroimidazo[4,5-b]pyridin-3-yl]-N,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 171106981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).