3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine

C20H27FN4 — CID 176961013

IUPAC3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)N1Cc2cc(F)cnc2C1.CC(C)N1Cc2cccnc2C1
InChIInChI=1S/C10H13FN2.C10H14N2/c1-7(2)13-5-8-3-9(11)4-12-10(8)6-13;1-8(2)12-6-9-4-3-5-11-10(9)7-12/h3-4,7H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyFSXQSTOJLCHJBM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.75
Rot. Bonds2

About 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine

3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 176961013) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID176961013
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCC(C)N1Cc2cc(F)cnc2C1.CC(C)N1Cc2cccnc2C1
InChIInChI=1S/C10H13FN2.C10H14N2/c1-7(2)13-5-8-3-9(11)4-12-10(8)6-13;1-8(2)12-6-9-4-3-5-11-10(9)7-12/h3-4,7H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
InChIKeyFSXQSTOJLCHJBM-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine 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 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 176961013) is 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine is CC(C)N1Cc2cc(F)cnc2C1.CC(C)N1Cc2cccnc2C1.
What is the InChIKey of 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is FSXQSTOJLCHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2.C10H14N2/c1-7(2)13-5-8-3-9(11)4-12-10(8)6-13;1-8(2)12-6-9-4-3-5-11-10(9)7-12/h3-4,7H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine?
3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 342.46 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 176961013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).