(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

C19H23ClN4 — CID 120770073

IUPAC(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc2ncc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)n2c1.Cl
InChIInChI=1S/C19H22N4.ClH/c1-14-7-8-19-21-9-16(23(19)10-14)11-22-12-17(18(20)13-22)15-5-3-2-4-6-15;/h2-10,17-18H,11-13,20H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyLJRIJWKOCODBOY-CJRXIRLBSA-N
MW342.87 g/mol
LogP2.99
Rot. Bonds3

About (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120770073) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120770073
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC Name(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc2ncc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)n2c1.Cl
InChIInChI=1S/C19H22N4.ClH/c1-14-7-8-19-21-9-16(23(19)10-14)11-22-12-17(18(20)13-22)15-5-3-2-4-6-15;/h2-10,17-18H,11-13,20H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyLJRIJWKOCODBOY-CJRXIRLBSA-N
XLogP2.99
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761299
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120761506
(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
[3-methyl-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780427
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 146402230
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120770073) is (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is Cc1ccc2ncc(CN3C[C@@H](N)[C@H](c4ccccc4)C3)n2c1.Cl.
What is the InChIKey of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LJRIJWKOCODBOY-CJRXIRLBSA-N. The full InChI is InChI=1S/C19H22N4.ClH/c1-14-7-8-19-21-9-16(23(19)10-14)11-22-12-17(18(20)13-22)15-5-3-2-4-6-15;/h2-10,17-18H,11-13,20H2,1H3;1H/t17-,18+;/m0./s1.
What are the key properties of (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).