(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C38H37F6N5O5 — CID 91259013

IUPAC(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3cc4ccoc4cn3)C2=O)CC1C
InChIInChI=1S/C38H37F6N5O5/c1-5-9-26-16-28(36(37(39,40)41,38(42,43)44)54-22-25-10-7-6-8-11-25)12-13-29(26)47-19-24(3)48(20-23(47)2)32(50)21-49-33(51)35(4,46-34(49)52)31-17-27-14-15-53-30(27)18-45-31/h5-18,23-24H,19-22H2,1-4H3,(H,46,52)/t23?,24-,35+/m0/s1
InChIKeyXGCINLHAFMAMER-BPIAXADMSA-N
MW757.73 g/mol
LogP7.29
Rot. Bonds9

About (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 91259013) has the molecular formula C38H37F6N5O5 and a molecular weight of 757.73 g/mol. Its IUPAC name is (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID91259013
Molecular FormulaC38H37F6N5O5
Molecular Weight757.73 g/mol
Exact Mass757.27
IUPAC Name(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3cc4ccoc4cn3)C2=O)CC1C
InChIInChI=1S/C38H37F6N5O5/c1-5-9-26-16-28(36(37(39,40)41,38(42,43)44)54-22-25-10-7-6-8-11-25)12-13-29(26)47-19-24(3)48(20-23(47)2)32(50)21-49-33(51)35(4,46-34(49)52)31-17-27-14-15-53-30(27)18-45-31/h5-18,23-24H,19-22H2,1-4H3,(H,46,52)/t23?,24-,35+/m0/s1
InChIKeyXGCINLHAFMAMER-BPIAXADMSA-N
XLogP7.29
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.73
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 91259013) is (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)N(C(=O)CN2C(=O)N[C@](C)(c3cc4ccoc4cn3)C2=O)CC1C.
What is the InChIKey of (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XGCINLHAFMAMER-BPIAXADMSA-N. The full InChI is InChI=1S/C38H37F6N5O5/c1-5-9-26-16-28(36(37(39,40)41,38(42,43)44)54-22-25-10-7-6-8-11-25)12-13-29(26)47-19-24(3)48(20-23(47)2)32(50)21-49-33(51)35(4,46-34(49)52)31-17-27-14-15-53-30(27)18-45-31/h5-18,23-24H,19-22H2,1-4H3,(H,46,52)/t23?,24-,35+/m0/s1.
What are the key properties of (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 757.73 g/mol, XLogP of 7.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-furo[2,3-c]pyridin-5-yl-3-[2-[(2S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 91259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).