[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C15H23ClN4 — CID 120780427

IUPAC[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1ccc2ncc(CN3CCC(C)(CN)C3)n2c1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-12-3-4-14-17-7-13(19(14)8-12)9-18-6-5-15(2,10-16)11-18;/h3-4,7-8H,5-6,9-11,16H2,1-2H3;1H
InChIKeyNYTYLSPXKDLAEF-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.24
Rot. Bonds3

About [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780427) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780427
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1ccc2ncc(CN3CCC(C)(CN)C3)n2c1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-12-3-4-14-17-7-13(19(14)8-12)9-18-6-5-15(2,10-16)11-18;/h3-4,7-8H,5-6,9-11,16H2,1-2H3;1H
InChIKeyNYTYLSPXKDLAEF-UHFFFAOYSA-N
XLogP2.24
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120780427) is [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cc1ccc2ncc(CN3CCC(C)(CN)C3)n2c1.Cl.
What is the InChIKey of [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is NYTYLSPXKDLAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-12-3-4-14-17-7-13(19(14)8-12)9-18-6-5-15(2,10-16)11-18;/h3-4,7-8H,5-6,9-11,16H2,1-2H3;1H.
What are the key properties of [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).