(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide

C26H37N5O4 — CID 146524739

IUPAC(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide
SMILESCC1CCC([C@H](NC(=O)N2CCC[C@H]2C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1
InChIInChI=1S/C26H37N5O4/c1-16-5-7-18(8-6-16)22(30-25(34)31-11-3-4-17(31)2)23(32)29-21-14-20-19(15-27-21)26(24(33)28-20)9-12-35-13-10-26/h14-18,22H,3-13H2,1-2H3,(H,28,33)(H,30,34)(H,27,29,32)/t16?,17-,18?,22+/m1/s1
InChIKeyODILVRNKMFQNSA-GTHNMYFUSA-N
MW483.61 g/mol
LogP3.41
Rot. Bonds4

About (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide

(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide (PubChem CID 146524739) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide
PubChem CID146524739
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide
SMILESCC1CCC([C@H](NC(=O)N2CCC[C@H]2C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1
InChIInChI=1S/C26H37N5O4/c1-16-5-7-18(8-6-16)22(30-25(34)31-11-3-4-17(31)2)23(32)29-21-14-20-19(15-27-21)26(24(33)28-20)9-12-35-13-10-26/h14-18,22H,3-13H2,1-2H3,(H,28,33)(H,30,34)(H,27,29,32)/t16?,17-,18?,22+/m1/s1
InChIKeyODILVRNKMFQNSA-GTHNMYFUSA-N
XLogP3.41
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide (CID 146524739) is (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide is CC1CCC([C@H](NC(=O)N2CCC[C@H]2C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1.
What is the InChIKey of (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is ODILVRNKMFQNSA-GTHNMYFUSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-16-5-7-18(8-6-16)22(30-25(34)31-11-3-4-17(31)2)23(32)29-21-14-20-19(15-27-21)26(24(33)28-20)9-12-35-13-10-26/h14-18,22H,3-13H2,1-2H3,(H,28,33)(H,30,34)(H,27,29,32)/t16?,17-,18?,22+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide?
(2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(1S)-1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146524739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).