[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride

C14H20Cl2N4O — CID 120809724

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cn3ccccc3n2)C1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-14(9-15)5-7-18(10-14)13(19)11-8-17-6-3-2-4-12(17)16-11;;/h2-4,6,8H,5,7,9-10,15H2,1H3;2*1H
InChIKeyAKTYNQOYPOXCDE-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.99
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride (PubChem CID 120809724) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride
PubChem CID120809724
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride
SMILESCC1(CN)CCN(C(=O)c2cn3ccccc3n2)C1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-14(9-15)5-7-18(10-14)13(19)11-8-17-6-3-2-4-12(17)16-11;;/h2-4,6,8H,5,7,9-10,15H2,1H3;2*1H
InChIKeyAKTYNQOYPOXCDE-UHFFFAOYSA-N
XLogP1.99
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 120808895
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone;dihydrochloride
CID 120805376
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-thiazol-5-yl)methanone
CID 120803771
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120806158
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
imidazo[1,2-a]pyridin-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 46981584
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120807964
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603533
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride (CID 120809724) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride is CC1(CN)CCN(C(=O)c2cn3ccccc3n2)C1.Cl.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride?
The InChIKey is AKTYNQOYPOXCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-14(9-15)5-7-18(10-14)13(19)11-8-17-6-3-2-4-12(17)16-11;;/h2-4,6,8H,5,7,9-10,15H2,1H3;2*1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 120809724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).