5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C21H27FN4 — CID 130378101

IUPAC5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2NC(C(C)C)=CC2N=C1CC(C)C1=CC2N=CC(F)=CC2N1
InChIInChI=1S/C21H27FN4/c1-11(2)15-8-21-19(24-15)6-13(4)16(25-21)5-12(3)17-9-18-20(26-17)7-14(22)10-23-18/h6-12,18-21,24,26H,5H2,1-4H3
InChIKeyHVSLKPFBYLKZCA-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.46
Rot. Bonds4

About 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 130378101) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID130378101
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2NC(C(C)C)=CC2N=C1CC(C)C1=CC2N=CC(F)=CC2N1
InChIInChI=1S/C21H27FN4/c1-11(2)15-8-21-19(24-15)6-13(4)16(25-21)5-12(3)17-9-18-20(26-17)7-14(22)10-23-18/h6-12,18-21,24,26H,5H2,1-4H3
InChIKeyHVSLKPFBYLKZCA-UHFFFAOYSA-N
XLogP3.46
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 130378101) is 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2NC(C(C)C)=CC2N=C1CC(C)C1=CC2N=CC(F)=CC2N1.
What is the InChIKey of 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is HVSLKPFBYLKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4/c1-11(2)15-8-21-19(24-15)6-13(4)16(25-21)5-12(3)17-9-18-20(26-17)7-14(22)10-23-18/h6-12,18-21,24,26H,5H2,1-4H3.
What are the key properties of 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 354.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-2-yl)propyl]-6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 130378101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).