(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

C17H17N5O — CID 46836698

IUPAC(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESN[C@H](C(=O)N1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C17H17N5O/c18-15(11-4-2-1-3-5-11)17(23)22-7-6-13-12(10-22)8-19-16-14(13)9-20-21-16/h1-5,8-9,15H,6-7,10,18H2,(H,19,20,21)/t15-/m0/s1
InChIKeyAUZJUFGVSUOXMO-HNNXBMFYSA-N
MW307.36 g/mol
LogP1.54
Rot. Bonds2

About (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (PubChem CID 46836698) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
PubChem CID46836698
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESN[C@H](C(=O)N1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1
InChIInChI=1S/C17H17N5O/c18-15(11-4-2-1-3-5-11)17(23)22-7-6-13-12(10-22)8-19-16-14(13)9-20-21-16/h1-5,8-9,15H,6-7,10,18H2,(H,19,20,21)/t15-/m0/s1
InChIKeyAUZJUFGVSUOXMO-HNNXBMFYSA-N
XLogP1.54
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (CID 46836698) is (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is N[C@H](C(=O)N1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The InChIKey is AUZJUFGVSUOXMO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-15(11-4-2-1-3-5-11)17(23)22-7-6-13-12(10-22)8-19-16-14(13)9-20-21-16/h1-5,8-9,15H,6-7,10,18H2,(H,19,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone has a molecular weight of 307.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is sourced from PubChem (CID 46836698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).