2-cyclopropyl-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

C27H34N6O4 — CID 146524408

About 2-cyclopropyl-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-cyclopropyl-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 146524408) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-cyclopropyl-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 Name: 2-cyclopropyl-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: 146524408
• Molecular Formula: C27H34N6O4
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.26
• IUPAC Name: 2-cyclopropyl-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
• SMILES: CC1CCC(C(NC(=O)c2ccnn2C2CC2)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1
• InChI: InChI=1S/C27H34N6O4/c1-16-2-4-17(5-3-16)23(32-24(34)21-8-11-29-33(21)18-6-7-18)25(35)31-22-14-20-19(15-28-22)27(26(36)30-20)9-12-37-13-10-27/h8,11,14-18,23H,2-7,9-10,12-13H2,1H3,(H,30,36)(H,32,34)(H,28,31,35)
• InChIKey: CRGYJENSYHSQHH-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-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-cyclopropyl-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 146524408) is 2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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 CC1CCC(C(NC(=O)c2ccnn2C2CC2)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1.

What is the InChIKey of 2-cyclopropyl-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 CRGYJENSYHSQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-16-2-4-17(5-3-16)23(32-24(34)21-8-11-29-33(21)18-6-7-18)25(35)31-22-14-20-19(15-28-22)27(26(36)30-20)9-12-37-13-10-27/h8,11,14-18,23H,2-7,9-10,12-13H2,1H3,(H,30,36)(H,32,34)(H,28,31,35).

What are the key properties of 2-cyclopropyl-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-cyclopropyl-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 506.61 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-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 146524408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).