1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride

C14H21ClN4O — CID 71471886

IUPAC1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride
SMILESC[C@@H]1CN(CC(=O)N2CCc3cccnc32)CCN1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11-9-17(8-6-15-11)10-13(19)18-7-4-12-3-2-5-16-14(12)18;/h2-3,5,11,15H,4,6-10H2,1H3;1H/t11-;/m1./s1
InChIKeyJQINHDMXTCZZMZ-RFVHGSKJSA-N
MW296.80 g/mol
LogP0.69
Rot. Bonds2

About 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride

1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 71471886) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID71471886
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride
SMILESC[C@@H]1CN(CC(=O)N2CCc3cccnc32)CCN1.Cl
InChIInChI=1S/C14H20N4O.ClH/c1-11-9-17(8-6-15-11)10-13(19)18-7-4-12-3-2-5-16-14(12)18;/h2-3,5,11,15H,4,6-10H2,1H3;1H/t11-;/m1./s1
InChIKeyJQINHDMXTCZZMZ-RFVHGSKJSA-N
XLogP0.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride (CID 71471886) is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride is C[C@@H]1CN(CC(=O)N2CCc3cccnc32)CCN1.Cl.
What is the InChIKey of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is JQINHDMXTCZZMZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H20N4O.ClH/c1-11-9-17(8-6-15-11)10-13(19)18-7-4-12-3-2-5-16-14(12)18;/h2-3,5,11,15H,4,6-10H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride?
1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).