[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C14H18Cl2N4 — CID 120772608

IUPAC[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)C1
InChIInChI=1S/C14H18Cl2N4/c1-14(8-17)2-3-19(9-14)6-11-7-20-5-10(15)4-12(16)13(20)18-11/h4-5,7H,2-3,6,8-9,17H2,1H3
InChIKeyQZUQBQUMHDORHJ-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.81
Rot. Bonds3

About [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120772608) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120772608
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)C1
InChIInChI=1S/C14H18Cl2N4/c1-14(8-17)2-3-19(9-14)6-11-7-20-5-10(15)4-12(16)13(20)18-11/h4-5,7H,2-3,6,8-9,17H2,1H3
InChIKeyQZUQBQUMHDORHJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120772608) is [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2cn3cc(Cl)cc(Cl)c3n2)C1.
What is the InChIKey of [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QZUQBQUMHDORHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-14(8-17)2-3-19(9-14)6-11-7-20-5-10(15)4-12(16)13(20)18-11/h4-5,7H,2-3,6,8-9,17H2,1H3.
What are the key properties of [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 313.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120772608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).