N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide

C27H28N4O5 — CID 166798215

IUPACN-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCc1c(C(=O)NC23C(=O)c4c(N)cccc4C2(O)Oc2cc([C@H](C)C4CC4C)ccc23)[nH]c(=O)n1C
InChIInChI=1S/C27H28N4O5/c1-12-10-16(12)13(2)15-8-9-17-20(11-15)36-27(35)18-6-5-7-19(28)21(18)23(32)26(17,27)30-24(33)22-14(3)31(4)25(34)29-22/h5-9,11-13,16,35H,10,28H2,1-4H3,(H,29,34)(H,30,33)/t12?,13-,16?,26?,27?/m0/s1
InChIKeyWVUZZRUHXCWYEJ-FYCCMOPXSA-N
MW488.54 g/mol
LogP2.42
Rot. Bonds4

About N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide

N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide (PubChem CID 166798215) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
PubChem CID166798215
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCc1c(C(=O)NC23C(=O)c4c(N)cccc4C2(O)Oc2cc([C@H](C)C4CC4C)ccc23)[nH]c(=O)n1C
InChIInChI=1S/C27H28N4O5/c1-12-10-16(12)13(2)15-8-9-17-20(11-15)36-27(35)18-6-5-7-19(28)21(18)23(32)26(17,27)30-24(33)22-14(3)31(4)25(34)29-22/h5-9,11-13,16,35H,10,28H2,1-4H3,(H,29,34)(H,30,33)/t12?,13-,16?,26?,27?/m0/s1
InChIKeyWVUZZRUHXCWYEJ-FYCCMOPXSA-N
XLogP2.42
TPSA139.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?
The IUPAC name of N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide (CID 166798215) is N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide is Cc1c(C(=O)NC23C(=O)c4c(N)cccc4C2(O)Oc2cc([C@H](C)C4CC4C)ccc23)[nH]c(=O)n1C.
What is the InChIKey of N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?
The InChIKey is WVUZZRUHXCWYEJ-FYCCMOPXSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-12-10-16(12)13(2)15-8-9-17-20(11-15)36-27(35)18-6-5-7-19(28)21(18)23(32)26(17,27)30-24(33)22-14(3)31(4)25(34)29-22/h5-9,11-13,16,35H,10,28H2,1-4H3,(H,29,34)(H,30,33)/t12?,13-,16?,26?,27?/m0/s1.
What are the key properties of N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide?
N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-4b-hydroxy-7-[(1R)-1-(2-methylcyclopropyl)ethyl]-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]-3,4-dimethyl-2-oxo-1H-imidazole-5-carboxamide is sourced from PubChem (CID 166798215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).