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

C21H20FN3O2 — CID 42603075

IUPAC[1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)27-21(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)
InChIKeyKCBVNBGEYCNXOY-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.63
Rot. Bonds4

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

[1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 42603075) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID42603075
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)27-21(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)
InChIKeyKCBVNBGEYCNXOY-UHFFFAOYSA-N
XLogP3.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 42603075) is [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(N1CCC(c2c[nH]c3ncccc23)C1)C1(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KCBVNBGEYCNXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-15-3-5-16(6-4-15)27-21(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-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenoxy)cyclopropyl]-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42603075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).