5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione

C32H32F3N7O4 — CID 164534773

IUPAC5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCCC5NC(=O)NC5=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C32H32F3N7O4/c1-2-19-22(34)5-4-16-10-18(43)11-20(24(16)19)26-25(35)27-21(13-37-26)28(36-8-6-23-29(44)41-30(45)38-23)40-31(39-27)46-15-32-7-3-9-42(32)14-17(33)12-32/h4-5,10-11,13,17,23,43H,2-3,6-9,12,14-15H2,1H3,(H,36,39,40)(H2,38,41,44,45)/t17-,23?,32+/m1/s1
InChIKeyFBGMBUIGBYQYID-JWJLWJJGSA-N
MW635.65 g/mol
LogP4.36
Rot. Bonds9

About 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione

5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione (PubChem CID 164534773) has the molecular formula C32H32F3N7O4 and a molecular weight of 635.65 g/mol. Its IUPAC name is 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione
PubChem CID164534773
Molecular FormulaC32H32F3N7O4
Molecular Weight635.65 g/mol
Exact Mass635.25
IUPAC Name5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCCC5NC(=O)NC5=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12
InChIInChI=1S/C32H32F3N7O4/c1-2-19-22(34)5-4-16-10-18(43)11-20(24(16)19)26-25(35)27-21(13-37-26)28(36-8-6-23-29(44)41-30(45)38-23)40-31(39-27)46-15-32-7-3-9-42(32)14-17(33)12-32/h4-5,10-11,13,17,23,43H,2-3,6-9,12,14-15H2,1H3,(H,36,39,40)(H2,38,41,44,45)/t17-,23?,32+/m1/s1
InChIKeyFBGMBUIGBYQYID-JWJLWJJGSA-N
XLogP4.36
TPSA141.60 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.65
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione (CID 164534773) is 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCCC5NC(=O)NC5=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12.
What is the InChIKey of 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?
The InChIKey is FBGMBUIGBYQYID-JWJLWJJGSA-N. The full InChI is InChI=1S/C32H32F3N7O4/c1-2-19-22(34)5-4-16-10-18(43)11-20(24(16)19)26-25(35)27-21(13-37-26)28(36-8-6-23-29(44)41-30(45)38-23)40-31(39-27)46-15-32-7-3-9-42(32)14-17(33)12-32/h4-5,10-11,13,17,23,43H,2-3,6-9,12,14-15H2,1H3,(H,36,39,40)(H2,38,41,44,45)/t17-,23?,32+/m1/s1.
What are the key properties of 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione?
5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione has a molecular weight of 635.65 g/mol, XLogP of 4.36, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164534773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).