[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine

C13H18N4 — CID 117128776

IUPAC[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN1CCC(c2cn3cc(CN)ccc3n2)C1
InChIInChI=1S/C13H18N4/c1-16-5-4-11(8-16)12-9-17-7-10(6-14)2-3-13(17)15-12/h2-3,7,9,11H,4-6,8,14H2,1H3
InChIKeyHTLLXOLEHVVEAL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.21
Rot. Bonds2

About [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine

[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 117128776) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID117128776
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN1CCC(c2cn3cc(CN)ccc3n2)C1
InChIInChI=1S/C13H18N4/c1-16-5-4-11(8-16)12-9-17-7-10(6-14)2-3-13(17)15-12/h2-3,7,9,11H,4-6,8,14H2,1H3
InChIKeyHTLLXOLEHVVEAL-UHFFFAOYSA-N
XLogP1.21
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine (CID 117128776) is [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine is CN1CCC(c2cn3cc(CN)ccc3n2)C1.
What is the InChIKey of [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is HTLLXOLEHVVEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-5-4-11(8-16)12-9-17-7-10(6-14)2-3-13(17)15-12/h2-3,7,9,11H,4-6,8,14H2,1H3.
What are the key properties of [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine?
[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117128776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).