2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine

C15H21ClN4 — CID 79293879

IUPAC2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)CN1CCCC1
InChIInChI=1S/C15H21ClN4/c1-11-5-6-17-15-14(11)18-13(9-16)20(15)12(2)10-19-7-3-4-8-19/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyNXJWNWQJKHTLPL-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.14
Rot. Bonds4

About 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79293879) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79293879
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C(C)CN1CCCC1
InChIInChI=1S/C15H21ClN4/c1-11-5-6-17-15-14(11)18-13(9-16)20(15)12(2)10-19-7-3-4-8-19/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeyNXJWNWQJKHTLPL-UHFFFAOYSA-N
XLogP3.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine (CID 79293879) is 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2C(C)CN1CCCC1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is NXJWNWQJKHTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11-5-6-17-15-14(11)18-13(9-16)20(15)12(2)10-19-7-3-4-8-19/h5-6,12H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 292.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).