N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide

C27H24F2N4O6 — CID 88582210

IUPACN-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide
SMILESC[C@@](CN1Cc2ccc(OCC3CC3)c(F)c2C1=O)(NC(=O)NC=O)c1cc2cc3c(c(F)c2o1)C(=O)NC3
InChIInChI=1S/C27H24F2N4O6/c1-27(32-26(37)31-12-34,18-7-15-6-16-8-30-24(35)19(16)22(29)23(15)39-18)11-33-9-14-4-5-17(38-10-13-2-3-13)21(28)20(14)25(33)36/h4-7,12-13H,2-3,8-11H2,1H3,(H,30,35)(H2,31,32,34,37)/t27-/m0/s1
InChIKeyVSWJBFRSTWJULC-MHZLTWQESA-N
MW538.51 g/mol
LogP3.07
Rot. Bonds8

About N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide

N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide (PubChem CID 88582210) has the molecular formula C27H24F2N4O6 and a molecular weight of 538.51 g/mol. Its IUPAC name is N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide
PubChem CID88582210
Molecular FormulaC27H24F2N4O6
Molecular Weight538.51 g/mol
Exact Mass538.17
IUPAC NameN-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide
SMILESC[C@@](CN1Cc2ccc(OCC3CC3)c(F)c2C1=O)(NC(=O)NC=O)c1cc2cc3c(c(F)c2o1)C(=O)NC3
InChIInChI=1S/C27H24F2N4O6/c1-27(32-26(37)31-12-34,18-7-15-6-16-8-30-24(35)19(16)22(29)23(15)39-18)11-33-9-14-4-5-17(38-10-13-2-3-13)21(28)20(14)25(33)36/h4-7,12-13H,2-3,8-11H2,1H3,(H,30,35)(H2,31,32,34,37)/t27-/m0/s1
InChIKeyVSWJBFRSTWJULC-MHZLTWQESA-N
XLogP3.07
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.51
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The IUPAC name of N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide (CID 88582210) is N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide.
What is the SMILES notation for N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The canonical SMILES for N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide is C[C@@](CN1Cc2ccc(OCC3CC3)c(F)c2C1=O)(NC(=O)NC=O)c1cc2cc3c(c(F)c2o1)C(=O)NC3.
What is the InChIKey of N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
The InChIKey is VSWJBFRSTWJULC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H24F2N4O6/c1-27(32-26(37)31-12-34,18-7-15-6-16-8-30-24(35)19(16)22(29)23(15)39-18)11-33-9-14-4-5-17(38-10-13-2-3-13)21(28)20(14)25(33)36/h4-7,12-13H,2-3,8-11H2,1H3,(H,30,35)(H2,31,32,34,37)/t27-/m0/s1.
What are the key properties of N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide?
N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide has a molecular weight of 538.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-[5-(cyclopropylmethoxy)-4-fluoro-3-oxo-1H-isoindol-2-yl]-2-(8-fluoro-7-oxo-5,6-dihydrofuro[2,3-f]isoindol-2-yl)propan-2-yl]carbamoyl]formamide is sourced from PubChem (CID 88582210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).