[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C21H20FN3O — CID 70684616

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24)
InChIKeyUHQNJKXPEWRUIP-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.75
Rot. Bonds3

About [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 70684616) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID70684616
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24)
InChIKeyUHQNJKXPEWRUIP-UHFFFAOYSA-N
XLogP3.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 70684616) is [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UHQNJKXPEWRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-16-5-3-15(4-6-16)21(8-9-21)20(26)25-11-7-14(13-25)18-12-24-19-17(18)2-1-10-23-19/h1-6,10,12,14H,7-9,11,13H2,(H,23,24).
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 349.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70684616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).