(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride

C13H20Cl2N4 — CID 119933721

IUPAC(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCc1ccc2nc(CN3CC[C@H](N)C3)cn2c1.Cl.Cl
InChIInChI=1S/C13H18N4.2ClH/c1-10-2-3-13-15-12(9-17(13)6-10)8-16-5-4-11(14)7-16;;/h2-3,6,9,11H,4-5,7-8,14H2,1H3;2*1H/t11-;;/m0../s1
InChIKeyBXLFBFIUWYMCLY-IDMXKUIJSA-N
MW303.24 g/mol
LogP2.02
Rot. Bonds2

About (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride

(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 119933721) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID119933721
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCc1ccc2nc(CN3CC[C@H](N)C3)cn2c1.Cl.Cl
InChIInChI=1S/C13H18N4.2ClH/c1-10-2-3-13-15-12(9-17(13)6-10)8-16-5-4-11(14)7-16;;/h2-3,6,9,11H,4-5,7-8,14H2,1H3;2*1H/t11-;;/m0../s1
InChIKeyBXLFBFIUWYMCLY-IDMXKUIJSA-N
XLogP2.02
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910049
2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 79037670
6-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117129102
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
2-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97203298
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119412488
[4-methyl-5-[(3R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 124756495

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride (CID 119933721) is (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride is Cc1ccc2nc(CN3CC[C@H](N)C3)cn2c1.Cl.Cl.
What is the InChIKey of (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is BXLFBFIUWYMCLY-IDMXKUIJSA-N. The full InChI is InChI=1S/C13H18N4.2ClH/c1-10-2-3-13-15-12(9-17(13)6-10)8-16-5-4-11(14)7-16;;/h2-3,6,9,11H,4-5,7-8,14H2,1H3;2*1H/t11-;;/m0../s1.
What are the key properties of (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride?
(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 303.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119933721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).