3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine

C25H32F2N4 — CID 159674075

IUPAC3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine
SMILESFC(F)CCCCCCCCCc1c[nH]c2cccnc12.Nn1ccc2ccccc21
InChIInChI=1S/C17H24F2N2.C8H8N2/c18-16(19)11-7-5-3-1-2-4-6-9-14-13-21-15-10-8-12-20-17(14)15;9-10-6-5-7-3-1-2-4-8(7)10/h8,10,12-13,16,21H,1-7,9,11H2;1-6H,9H2
InChIKeyMUJHIEZBCFPYAS-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.85
Rot. Bonds10

About 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine

3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine (PubChem CID 159674075) has the molecular formula C25H32F2N4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine.

Molecular Properties

Compound Name3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine
PubChem CID159674075
Molecular FormulaC25H32F2N4
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine
SMILESFC(F)CCCCCCCCCc1c[nH]c2cccnc12.Nn1ccc2ccccc21
InChIInChI=1S/C17H24F2N2.C8H8N2/c18-16(19)11-7-5-3-1-2-4-6-9-14-13-21-15-10-8-12-20-17(14)15;9-10-6-5-7-3-1-2-4-8(7)10/h8,10,12-13,16,21H,1-7,9,11H2;1-6H,9H2
InChIKeyMUJHIEZBCFPYAS-UHFFFAOYSA-N
XLogP6.85
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine?
The IUPAC name of 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine (CID 159674075) is 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine.
What is the SMILES notation for 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine?
The canonical SMILES for 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine is FC(F)CCCCCCCCCc1c[nH]c2cccnc12.Nn1ccc2ccccc21.
What is the InChIKey of 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine?
The InChIKey is MUJHIEZBCFPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2.C8H8N2/c18-16(19)11-7-5-3-1-2-4-6-9-14-13-21-15-10-8-12-20-17(14)15;9-10-6-5-7-3-1-2-4-8(7)10/h8,10,12-13,16,21H,1-7,9,11H2;1-6H,9H2.
What are the key properties of 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine?
3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine has a molecular weight of 426.56 g/mol, XLogP of 6.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-difluorodecyl)-1H-pyrrolo[3,2-b]pyridine;indol-1-amine is sourced from PubChem (CID 159674075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).