N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine

C16H22N4O — CID 103535879

IUPACN-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
SMILESCOC1CCN(c2nc3ccccn3c2CNC2CC2)C1
InChIInChI=1S/C16H22N4O/c1-21-13-7-9-19(11-13)16-14(10-17-12-5-6-12)20-8-3-2-4-15(20)18-16/h2-4,8,12-13,17H,5-7,9-11H2,1H3
InChIKeyMRAVQHUGZBDLAH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds5

About N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine

N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 103535879) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID103535879
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
SMILESCOC1CCN(c2nc3ccccn3c2CNC2CC2)C1
InChIInChI=1S/C16H22N4O/c1-21-13-7-9-19(11-13)16-14(10-17-12-5-6-12)20-8-3-2-4-15(20)18-16/h2-4,8,12-13,17H,5-7,9-11H2,1H3
InChIKeyMRAVQHUGZBDLAH-UHFFFAOYSA-N
XLogP1.81
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine (CID 103535879) is N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine is COC1CCN(c2nc3ccccn3c2CNC2CC2)C1.
What is the InChIKey of N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is MRAVQHUGZBDLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-13-7-9-19(11-13)16-14(10-17-12-5-6-12)20-8-3-2-4-15(20)18-16/h2-4,8,12-13,17H,5-7,9-11H2,1H3.
What are the key properties of N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103535879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).