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

C25H31N5O4S — CID 146524666

IUPAC2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)C2CCC(C)CC2)cs1
InChIInChI=1S/C25H31N5O4S/c1-14-3-5-16(6-4-14)21(30-22(31)19-13-35-15(2)27-19)23(32)29-20-11-18-17(12-26-20)25(24(33)28-18)7-9-34-10-8-25/h11-14,16,21H,3-10H2,1-2H3,(H,28,33)(H,30,31)(H,26,29,32)
InChIKeyYTTCDWPTCBTGRV-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.41
Rot. Bonds5

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

2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 146524666) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID146524666
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)C2CCC(C)CC2)cs1
InChIInChI=1S/C25H31N5O4S/c1-14-3-5-16(6-4-14)21(30-22(31)19-13-35-15(2)27-19)23(32)29-20-11-18-17(12-26-20)25(24(33)28-18)7-9-34-10-8-25/h11-14,16,21H,3-10H2,1-2H3,(H,28,33)(H,30,31)(H,26,29,32)
InChIKeyYTTCDWPTCBTGRV-UHFFFAOYSA-N
XLogP3.41
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 146524666) is 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)C2CCC(C)CC2)cs1.
What is the InChIKey of 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YTTCDWPTCBTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-14-3-5-16(6-4-14)21(30-22(31)19-13-35-15(2)27-19)23(32)29-20-11-18-17(12-26-20)25(24(33)28-18)7-9-34-10-8-25/h11-14,16,21H,3-10H2,1-2H3,(H,28,33)(H,30,31)(H,26,29,32).
What are the key properties of 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146524666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).