(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile

C18H12N6O2 — CID 166727908

IUPAC(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
SMILESN#Cc1cnc2c(n1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C18H12N6O2/c19-6-10-7-21-18-14(22-10)3-4-15(18)26-11-1-2-13-12(5-11)17(24-23-13)16-8-20-9-25-16/h1-2,5,7-9,15H,3-4H2,(H,23,24)/t15-/m0/s1
InChIKeyUECOXWOTTBWKRF-HNNXBMFYSA-N
MW344.33 g/mol
LogP2.95
Rot. Bonds3

About (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile

(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile (PubChem CID 166727908) has the molecular formula C18H12N6O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile.

Molecular Properties

Compound Name(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
PubChem CID166727908
Molecular FormulaC18H12N6O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
SMILESN#Cc1cnc2c(n1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1
InChIInChI=1S/C18H12N6O2/c19-6-10-7-21-18-14(22-10)3-4-15(18)26-11-1-2-13-12(5-11)17(24-23-13)16-8-20-9-25-16/h1-2,5,7-9,15H,3-4H2,(H,23,24)/t15-/m0/s1
InChIKeyUECOXWOTTBWKRF-HNNXBMFYSA-N
XLogP2.95
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The IUPAC name of (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile (CID 166727908) is (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile.
What is the SMILES notation for (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The canonical SMILES for (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile is N#Cc1cnc2c(n1)CC[C@@H]2Oc1ccc2[nH]nc(-c3cnco3)c2c1.
What is the InChIKey of (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
The InChIKey is UECOXWOTTBWKRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H12N6O2/c19-6-10-7-21-18-14(22-10)3-4-15(18)26-11-1-2-13-12(5-11)17(24-23-13)16-8-20-9-25-16/h1-2,5,7-9,15H,3-4H2,(H,23,24)/t15-/m0/s1.
What are the key properties of (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile?
(7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile has a molecular weight of 344.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile is sourced from PubChem (CID 166727908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).