(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C19H17N3O — CID 11529583

IUPAC(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NC[C@H](Cc2ccccc2)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C19H17N3O/c23-19-16-11-17(14-6-8-20-9-7-14)22-18(16)15(12-21-19)10-13-4-2-1-3-5-13/h1-9,11,15,22H,10,12H2,(H,21,23)/t15-/m0/s1
InChIKeyIXTGABPCQDEGGP-HNNXBMFYSA-N
MW303.37 g/mol
LogP3.15
Rot. Bonds3

About (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11529583) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11529583
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NC[C@H](Cc2ccccc2)c2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C19H17N3O/c23-19-16-11-17(14-6-8-20-9-7-14)22-18(16)15(12-21-19)10-13-4-2-1-3-5-13/h1-9,11,15,22H,10,12H2,(H,21,23)/t15-/m0/s1
InChIKeyIXTGABPCQDEGGP-HNNXBMFYSA-N
XLogP3.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11529583) is (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NC[C@H](Cc2ccccc2)c2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IXTGABPCQDEGGP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19-16-11-17(14-6-8-20-9-7-14)22-18(16)15(12-21-19)10-13-4-2-1-3-5-13/h1-9,11,15,22H,10,12H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
(7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 303.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-benzyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11529583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).