[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate

C20H16FN7O3 — CID 126597799

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cocn1
InChIInChI=1S/C20H16FN7O3/c1-10(14-8-30-9-24-14)25-20(29)31-16-7-23-19-18(16)26-13(6-22-19)17-12-4-3-11(21)5-15(12)28(2)27-17/h3-10H,1-2H3,(H,22,23)(H,25,29)
InChIKeyJLPMTVUFCUOVRU-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.49
Rot. Bonds4

About [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate (PubChem CID 126597799) has the molecular formula C20H16FN7O3 and a molecular weight of 421.39 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate
PubChem CID126597799
Molecular FormulaC20H16FN7O3
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate
SMILESCC(NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cocn1
InChIInChI=1S/C20H16FN7O3/c1-10(14-8-30-9-24-14)25-20(29)31-16-7-23-19-18(16)26-13(6-22-19)17-12-4-3-11(21)5-15(12)28(2)27-17/h3-10H,1-2H3,(H,22,23)(H,25,29)
InChIKeyJLPMTVUFCUOVRU-UHFFFAOYSA-N
XLogP3.49
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate 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 [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate (CID 126597799) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate is CC(NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cocn1.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate?
The InChIKey is JLPMTVUFCUOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O3/c1-10(14-8-30-9-24-14)25-20(29)31-16-7-23-19-18(16)26-13(6-22-19)17-12-4-3-11(21)5-15(12)28(2)27-17/h3-10H,1-2H3,(H,22,23)(H,25,29).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate has a molecular weight of 421.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[1-(1,3-oxazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 126597799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).