(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

C20H20ClN3O — CID 69183289

IUPAC(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1N[C@H](CCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C20H19N3O.ClH/c24-20-17-13-18(15-8-10-21-11-9-15)23-19(17)12-16(22-20)7-6-14-4-2-1-3-5-14;/h1-5,8-11,13,16,23H,6-7,12H2,(H,22,24);1H/t16-;/m1./s1
InChIKeyRVBOPXIDEBPPLI-PKLMIRHRSA-N
MW353.85 g/mol
LogP3.79
Rot. Bonds4

About (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride

(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (PubChem CID 69183289) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
PubChem CID69183289
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride
SMILESCl.O=C1N[C@H](CCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C20H19N3O.ClH/c24-20-17-13-18(15-8-10-21-11-9-15)23-19(17)12-16(22-20)7-6-14-4-2-1-3-5-14;/h1-5,8-11,13,16,23H,6-7,12H2,(H,22,24);1H/t16-;/m1./s1
InChIKeyRVBOPXIDEBPPLI-PKLMIRHRSA-N
XLogP3.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride with MolForge

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Related Compounds

6-(aminomethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 23582383
6-cyclopropyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 25190883
(6R)-6-cyclohexyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 69182661
(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11529583
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
6-[3-(dibenzylamino)propyl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid
CID 123663045
(7S)-7-ethyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11536428
7-butan-2-yl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 69181090
2-[2-[5-(2-cyclopentylethyl)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158178093
2-(2-pyridin-4-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16719968
(2R,5R)-2-benzyl-5-(2-phenylethyl)pyrrolidine;hydrochloride
CID 70526250
4-(2-cyclopropylethyl)pyridine
CID 54011262

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The IUPAC name of (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride (CID 69183289) is (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride.
What is the SMILES notation for (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The canonical SMILES for (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is Cl.O=C1N[C@H](CCc2ccccc2)Cc2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
The InChIKey is RVBOPXIDEBPPLI-PKLMIRHRSA-N. The full InChI is InChI=1S/C20H19N3O.ClH/c24-20-17-13-18(15-8-10-21-11-9-15)23-19(17)12-16(22-20)7-6-14-4-2-1-3-5-14;/h1-5,8-11,13,16,23H,6-7,12H2,(H,22,24);1H/t16-;/m1./s1.
What are the key properties of (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride?
(6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-phenylethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrochloride is sourced from PubChem (CID 69183289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).