3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C24H22FN5O4 — CID 90419909

IUPAC3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)CN4C(=O)CNC4=O)CC3)cc12
InChIInChI=1S/C24H22FN5O4/c1-34-20-3-2-15(25)10-17(20)16-4-7-26-23-18(16)11-19(28-23)14-5-8-29(9-6-14)22(32)13-30-21(31)12-27-24(30)33/h2-5,7,10-11H,6,8-9,12-13H2,1H3,(H,26,28)(H,27,33)
InChIKeyCDPKIYMMADFOKR-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.55
Rot. Bonds5

About 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 90419909) has the molecular formula C24H22FN5O4 and a molecular weight of 463.47 g/mol. Its IUPAC name is 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID90419909
Molecular FormulaC24H22FN5O4
Molecular Weight463.47 g/mol
Exact Mass463.17
IUPAC Name3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)CN4C(=O)CNC4=O)CC3)cc12
InChIInChI=1S/C24H22FN5O4/c1-34-20-3-2-15(25)10-17(20)16-4-7-26-23-18(16)11-19(28-23)14-5-8-29(9-6-14)22(32)13-30-21(31)12-27-24(30)33/h2-5,7,10-11H,6,8-9,12-13H2,1H3,(H,26,28)(H,27,33)
InChIKeyCDPKIYMMADFOKR-UHFFFAOYSA-N
XLogP2.55
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 90419909) is 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)CN4C(=O)CNC4=O)CC3)cc12.
What is the InChIKey of 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is CDPKIYMMADFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O4/c1-34-20-3-2-15(25)10-17(20)16-4-7-26-23-18(16)11-19(28-23)14-5-8-29(9-6-14)22(32)13-30-21(31)12-27-24(30)33/h2-5,7,10-11H,6,8-9,12-13H2,1H3,(H,26,28)(H,27,33).
What are the key properties of 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 463.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90419909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).