7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine

C17H17ClN4O — CID 44553054

IUPAC7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccccc1OC[C@H]1CCCN1c1ccnc2nc[nH]c12
InChIInChI=1S/C17H17ClN4O/c18-13-5-1-2-6-15(13)23-10-12-4-3-9-22(12)14-7-8-19-17-16(14)20-11-21-17/h1-2,5-8,11-12H,3-4,9-10H2,(H,19,20,21)/t12-/m1/s1
InChIKeyGQTJSFHRVMRHGH-GFCCVEGCSA-N
MW328.80 g/mol
LogP3.66
Rot. Bonds4

About 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine

7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 44553054) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID44553054
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESClc1ccccc1OC[C@H]1CCCN1c1ccnc2nc[nH]c12
InChIInChI=1S/C17H17ClN4O/c18-13-5-1-2-6-15(13)23-10-12-4-3-9-22(12)14-7-8-19-17-16(14)20-11-21-17/h1-2,5-8,11-12H,3-4,9-10H2,(H,19,20,21)/t12-/m1/s1
InChIKeyGQTJSFHRVMRHGH-GFCCVEGCSA-N
XLogP3.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 44553054) is 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine is Clc1ccccc1OC[C@H]1CCCN1c1ccnc2nc[nH]c12.
What is the InChIKey of 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is GQTJSFHRVMRHGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-5-1-2-6-15(13)23-10-12-4-3-9-22(12)14-7-8-19-17-16(14)20-11-21-17/h1-2,5-8,11-12H,3-4,9-10H2,(H,19,20,21)/t12-/m1/s1.
What are the key properties of 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine?
7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 328.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 44553054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).