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

C16H16N4S — CID 63806148

IUPACN-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
SMILESc1ccc(Sc2nc3ccccn3c2CNC2CC2)nc1
InChIInChI=1S/C16H16N4S/c1-3-9-17-15(6-1)21-16-13(11-18-12-7-8-12)20-10-4-2-5-14(20)19-16/h1-6,9-10,12,18H,7-8,11H2
InChIKeyWCTBRWHOKFQKTO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.13
Rot. Bonds5

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

N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine (PubChem CID 63806148) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
PubChem CID63806148
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
SMILESc1ccc(Sc2nc3ccccn3c2CNC2CC2)nc1
InChIInChI=1S/C16H16N4S/c1-3-9-17-15(6-1)21-16-13(11-18-12-7-8-12)20-10-4-2-5-14(20)19-16/h1-6,9-10,12,18H,7-8,11H2
InChIKeyWCTBRWHOKFQKTO-UHFFFAOYSA-N
XLogP3.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine (CID 63806148) is N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine is c1ccc(Sc2nc3ccccn3c2CNC2CC2)nc1.
What is the InChIKey of N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine?
The InChIKey is WCTBRWHOKFQKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-3-9-17-15(6-1)21-16-13(11-18-12-7-8-12)20-10-4-2-5-14(20)19-16/h1-6,9-10,12,18H,7-8,11H2.
What are the key properties of N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine?
N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine has a molecular weight of 296.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).