1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine

C19H20FN3 — CID 92608115

IUPAC1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-22-11-3-5-17(22)18-12-15-4-2-10-21-19(15)23(18)13-14-6-8-16(20)9-7-14/h2,4,6-10,12,17H,3,5,11,13H2,1H3/t17-/m0/s1
InChIKeyJUESPYYZNLGUEB-KRWDZBQOSA-N
MW309.39 g/mol
LogP3.99
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine

1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine (PubChem CID 92608115) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine
PubChem CID92608115
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3/c1-22-11-3-5-17(22)18-12-15-4-2-10-21-19(15)23(18)13-14-6-8-16(20)9-7-14/h2,4,6-10,12,17H,3,5,11,13H2,1H3/t17-/m0/s1
InChIKeyJUESPYYZNLGUEB-KRWDZBQOSA-N
XLogP3.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine (CID 92608115) is 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine is CN1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is JUESPYYZNLGUEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN3/c1-22-11-3-5-17(22)18-12-15-4-2-10-21-19(15)23(18)13-14-6-8-16(20)9-7-14/h2,4,6-10,12,17H,3,5,11,13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine?
1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 309.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 92608115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).