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

C15H17N5S — CID 63805394

IUPACN-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
SMILESCn1ccnc1Sc1nc2ccccn2c1CNC1CC1
InChIInChI=1S/C15H17N5S/c1-19-9-7-16-15(19)21-14-12(10-17-11-5-6-11)20-8-3-2-4-13(20)18-14/h2-4,7-9,11,17H,5-6,10H2,1H3
InChIKeyNQLRIIWFRDBING-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.47
Rot. Bonds5

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

N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 63805394) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID63805394
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
SMILESCn1ccnc1Sc1nc2ccccn2c1CNC1CC1
InChIInChI=1S/C15H17N5S/c1-19-9-7-16-15(19)21-14-12(10-17-11-5-6-11)20-8-3-2-4-13(20)18-14/h2-4,7-9,11,17H,5-6,10H2,1H3
InChIKeyNQLRIIWFRDBING-UHFFFAOYSA-N
XLogP2.47
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine (CID 63805394) is N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine is Cn1ccnc1Sc1nc2ccccn2c1CNC1CC1.
What is the InChIKey of N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is NQLRIIWFRDBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-19-9-7-16-15(19)21-14-12(10-17-11-5-6-11)20-8-3-2-4-13(20)18-14/h2-4,7-9,11,17H,5-6,10H2,1H3.
What are the key properties of N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine?
N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 299.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63805394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).