6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine

C26H30FN3O — CID 130181756

IUPAC6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC1COC2C(Cc3cc4nc(-c5ccc(N6CCCC6)cc5)c(F)cc4[nH]3)CCC12
InChIInChI=1S/C26H30FN3O/c1-16-15-31-26-18(6-9-21(16)26)12-19-13-23-24(28-19)14-22(27)25(29-23)17-4-7-20(8-5-17)30-10-2-3-11-30/h4-5,7-8,13-14,16,18,21,26,28H,2-3,6,9-12,15H2,1H3
InChIKeyAIPQKWSAPROYKN-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.57
Rot. Bonds4

About 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine

6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 130181756) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID130181756
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC1COC2C(Cc3cc4nc(-c5ccc(N6CCCC6)cc5)c(F)cc4[nH]3)CCC12
InChIInChI=1S/C26H30FN3O/c1-16-15-31-26-18(6-9-21(16)26)12-19-13-23-24(28-19)14-22(27)25(29-23)17-4-7-20(8-5-17)30-10-2-3-11-30/h4-5,7-8,13-14,16,18,21,26,28H,2-3,6,9-12,15H2,1H3
InChIKeyAIPQKWSAPROYKN-UHFFFAOYSA-N
XLogP5.57
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-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 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine (CID 130181756) is 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine is CC1COC2C(Cc3cc4nc(-c5ccc(N6CCCC6)cc5)c(F)cc4[nH]3)CCC12.
What is the InChIKey of 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is AIPQKWSAPROYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c1-16-15-31-26-18(6-9-21(16)26)12-19-13-23-24(28-19)14-22(27)25(29-23)17-4-7-20(8-5-17)30-10-2-3-11-30/h4-5,7-8,13-14,16,18,21,26,28H,2-3,6,9-12,15H2,1H3.
What are the key properties of 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine?
6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 419.54 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl)methyl]-5-(4-pyrrolidin-1-ylphenyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 130181756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).