6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

C17H17ClN4O — CID 75384817

IUPAC6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CN3CCC(Oc4ccncc4)C3)cn2c1
InChIInChI=1S/C17H17ClN4O/c18-13-1-2-17-20-14(11-22(17)9-13)10-21-8-5-16(12-21)23-15-3-6-19-7-4-15/h1-4,6-7,9,11,16H,5,8,10,12H2
InChIKeyMLXCHKQDQFEXMR-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.04
Rot. Bonds4

About 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine

6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 75384817) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID75384817
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CN3CCC(Oc4ccncc4)C3)cn2c1
InChIInChI=1S/C17H17ClN4O/c18-13-1-2-17-20-14(11-22(17)9-13)10-21-8-5-16(12-21)23-15-3-6-19-7-4-15/h1-4,6-7,9,11,16H,5,8,10,12H2
InChIKeyMLXCHKQDQFEXMR-UHFFFAOYSA-N
XLogP3.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 75384817) is 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is Clc1ccc2nc(CN3CCC(Oc4ccncc4)C3)cn2c1.
What is the InChIKey of 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is MLXCHKQDQFEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-1-2-17-20-14(11-22(17)9-13)10-21-8-5-16(12-21)23-15-3-6-19-7-4-15/h1-4,6-7,9,11,16H,5,8,10,12H2.
What are the key properties of 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 328.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-pyridin-4-yloxypyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 75384817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).