1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine

C16H22FN3 — CID 137457697

IUPAC1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1cn([C@H]2CCN(CCF)C2)c2ncccc12
InChIInChI=1S/C16H22FN3/c1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17/h3-4,7,11-13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyYRGSTSDQPFHFJM-ZDUSSCGKSA-N
MW275.37 g/mol
LogP3.38
Rot. Bonds4

About 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine

1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 137457697) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID137457697
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC(C)c1cn([C@H]2CCN(CCF)C2)c2ncccc12
InChIInChI=1S/C16H22FN3/c1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17/h3-4,7,11-13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyYRGSTSDQPFHFJM-ZDUSSCGKSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine (CID 137457697) is 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine is CC(C)c1cn([C@H]2CCN(CCF)C2)c2ncccc12.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is YRGSTSDQPFHFJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12(2)15-11-20(16-14(15)4-3-7-18-16)13-5-8-19(10-13)9-6-17/h3-4,7,11-13H,5-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine?
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 275.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137457697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).