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

C26H34N6O4 — CID 142495210

IUPAC2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2)C1CCC(C)CC1
InChIInChI=1S/C26H34N6O4/c1-3-32-20(8-11-28-32)23(33)31-22(17-6-4-16(2)5-7-17)24(34)30-21-14-19-18(15-27-21)26(25(35)29-19)9-12-36-13-10-26/h8,11,14-17,22H,3-7,9-10,12-13H2,1-2H3,(H,29,35)(H,31,33)(H,27,30,34)
InChIKeyOPUUQWRMGJMFIZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP2.86
Rot. Bonds6

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

2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide (PubChem CID 142495210) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide
PubChem CID142495210
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2)C1CCC(C)CC1
InChIInChI=1S/C26H34N6O4/c1-3-32-20(8-11-28-32)23(33)31-22(17-6-4-16(2)5-7-17)24(34)30-21-14-19-18(15-27-21)26(25(35)29-19)9-12-36-13-10-26/h8,11,14-17,22H,3-7,9-10,12-13H2,1-2H3,(H,29,35)(H,31,33)(H,27,30,34)
InChIKeyOPUUQWRMGJMFIZ-UHFFFAOYSA-N
XLogP2.86
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide (CID 142495210) is 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NC(C(=O)Nc1cc2c(cn1)C1(CCOCC1)C(=O)N2)C1CCC(C)CC1.
What is the InChIKey of 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide?
The InChIKey is OPUUQWRMGJMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-3-32-20(8-11-28-32)23(33)31-22(17-6-4-16(2)5-7-17)24(34)30-21-14-19-18(15-27-21)26(25(35)29-19)9-12-36-13-10-26/h8,11,14-17,22H,3-7,9-10,12-13H2,1-2H3,(H,29,35)(H,31,33)(H,27,30,34).
What are the key properties of 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide?
2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 142495210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).