N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine

C15H21ClN4 — CID 79306880

IUPACN-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCN(C)C1CC1
InChIInChI=1S/C15H21ClN4/c1-10-8-13-15(17-9-10)20(14(18-13)11(2)16)7-6-19(3)12-4-5-12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyFCZOVXSWQMSRIH-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.13
Rot. Bonds5

About N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine

N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine (PubChem CID 79306880) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
PubChem CID79306880
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2CCN(C)C1CC1
InChIInChI=1S/C15H21ClN4/c1-10-8-13-15(17-9-10)20(14(18-13)11(2)16)7-6-19(3)12-4-5-12/h8-9,11-12H,4-7H2,1-3H3
InChIKeyFCZOVXSWQMSRIH-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 79300872
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
4-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-2-methyl-1,3-thiazole
CID 106037177
2-(1-chloroethyl)-6-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 79305923
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
6-chloro-2-(1-chloroethyl)-3-(2-cyclopropylpropyl)imidazo[4,5-b]pyridine
CID 113475680
N-[2-[6-chloro-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-ethylpropan-1-amine
CID 106004677
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine (CID 79306880) is N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine is Cc1cnc2c(c1)nc(C(C)Cl)n2CCN(C)C1CC1.
What is the InChIKey of N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
The InChIKey is FCZOVXSWQMSRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10-8-13-15(17-9-10)20(14(18-13)11(2)16)7-6-19(3)12-4-5-12/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine?
N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine has a molecular weight of 292.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 79306880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).