N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine

C15H21ClN4O — CID 115322999

IUPACN-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
SMILESCOc1ccc2nc(C(C)Cl)n(CCN(C)C3CC3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-10(16)14-17-12-6-7-13(21-3)18-15(12)20(14)9-8-19(2)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGFPDKFOLESWOFH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.83
Rot. Bonds6

About N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine

N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine (PubChem CID 115322999) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
PubChem CID115322999
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
SMILESCOc1ccc2nc(C(C)Cl)n(CCN(C)C3CC3)c2n1
InChIInChI=1S/C15H21ClN4O/c1-10(16)14-17-12-6-7-13(21-3)18-15(12)20(14)9-8-19(2)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyGFPDKFOLESWOFH-UHFFFAOYSA-N
XLogP2.83
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 79306880
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
2-(1-chloroethyl)-3-(1-cyclopropylpropan-2-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323065
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
CID 106278723
3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine (CID 115322999) is N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine is COc1ccc2nc(C(C)Cl)n(CCN(C)C3CC3)c2n1.
What is the InChIKey of N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The InChIKey is GFPDKFOLESWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(16)14-17-12-6-7-13(21-3)18-15(12)20(14)9-8-19(2)11-4-5-11/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine has a molecular weight of 308.81 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 115322999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).