N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide

C24H28N4O4 — CID 163585312

IUPACN-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)CC(C#N)CN1CCNC1=O)C2
InChIInChI=1S/C24H28N4O4/c1-32-22-4-2-3-17-11-18(12-19(17)22)23(30)27-20(9-15-5-6-15)21(29)10-16(13-25)14-28-8-7-26-24(28)31/h2-4,12,15-16,20H,5-11,14H2,1H3,(H,26,31)(H,27,30)/t16?,20-/m0/s1
InChIKeyWXUGODQYBHINPP-FZCLLLDFSA-N
MW436.51 g/mol
LogP2.04
Rot. Bonds10

About N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide

N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide (PubChem CID 163585312) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
PubChem CID163585312
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide
SMILESCOc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)CC(C#N)CN1CCNC1=O)C2
InChIInChI=1S/C24H28N4O4/c1-32-22-4-2-3-17-11-18(12-19(17)22)23(30)27-20(9-15-5-6-15)21(29)10-16(13-25)14-28-8-7-26-24(28)31/h2-4,12,15-16,20H,5-11,14H2,1H3,(H,26,31)(H,27,30)/t16?,20-/m0/s1
InChIKeyWXUGODQYBHINPP-FZCLLLDFSA-N
XLogP2.04
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The IUPAC name of N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide (CID 163585312) is N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The canonical SMILES for N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide is COc1cccc2c1C=C(C(=O)N[C@@H](CC1CC1)C(=O)CC(C#N)CN1CCNC1=O)C2.
What is the InChIKey of N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
The InChIKey is WXUGODQYBHINPP-FZCLLLDFSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-32-22-4-2-3-17-11-18(12-19(17)22)23(30)27-20(9-15-5-6-15)21(29)10-16(13-25)14-28-8-7-26-24(28)31/h2-4,12,15-16,20H,5-11,14H2,1H3,(H,26,31)(H,27,30)/t16?,20-/m0/s1.
What are the key properties of N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide?
N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-cyano-1-cyclopropyl-3-oxo-6-(2-oxoimidazolidin-1-yl)hexan-2-yl]-4-methoxy-1H-indene-2-carboxamide is sourced from PubChem (CID 163585312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).