(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

C22H17N5O — CID 155363971

IUPAC(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESNc1nccc2ccc(-c3cccc(C#C[C@@]4(O)CCn5ccnc54)c3)nc12
InChIInChI=1S/C22H17N5O/c23-20-19-16(7-10-24-20)4-5-18(26-19)17-3-1-2-15(14-17)6-8-22(28)9-12-27-13-11-25-21(22)27/h1-5,7,10-11,13-14,28H,9,12H2,(H2,23,24)/t22-/m1/s1
InChIKeyOHUDXLIXNFNYLH-JOCHJYFZSA-N
MW367.41 g/mol
LogP2.72
Rot. Bonds1

About (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 155363971) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID155363971
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESNc1nccc2ccc(-c3cccc(C#C[C@@]4(O)CCn5ccnc54)c3)nc12
InChIInChI=1S/C22H17N5O/c23-20-19-16(7-10-24-20)4-5-18(26-19)17-3-1-2-15(14-17)6-8-22(28)9-12-27-13-11-25-21(22)27/h1-5,7,10-11,13-14,28H,9,12H2,(H2,23,24)/t22-/m1/s1
InChIKeyOHUDXLIXNFNYLH-JOCHJYFZSA-N
XLogP2.72
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 155363971) is (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is Nc1nccc2ccc(-c3cccc(C#C[C@@]4(O)CCn5ccnc54)c3)nc12.
What is the InChIKey of (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is OHUDXLIXNFNYLH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17N5O/c23-20-19-16(7-10-24-20)4-5-18(26-19)17-3-1-2-15(14-17)6-8-22(28)9-12-27-13-11-25-21(22)27/h1-5,7,10-11,13-14,28H,9,12H2,(H2,23,24)/t22-/m1/s1.
What are the key properties of (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
(7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 367.41 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[2-[3-(8-amino-1,7-naphthyridin-2-yl)phenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 155363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).