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

C27H36N6O4 — CID 142495174

IUPACN-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC1CCC(C(NC(=O)c2ccnn2C(C)C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1
InChIInChI=1S/C27H36N6O4/c1-16(2)33-21(8-11-29-33)24(34)32-23(18-6-4-17(3)5-7-18)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,4-7,9-10,12-13H2,1-3H3,(H,30,36)(H,32,34)(H,28,31,35)
InChIKeyKUMPOCREHRFYTG-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.42
Rot. Bonds6

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

N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 142495174) has the molecular formula C27H36N6O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID142495174
Molecular FormulaC27H36N6O4
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC NameN-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC1CCC(C(NC(=O)c2ccnn2C(C)C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1
InChIInChI=1S/C27H36N6O4/c1-16(2)33-21(8-11-29-33)24(34)32-23(18-6-4-17(3)5-7-18)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,4-7,9-10,12-13H2,1-3H3,(H,30,36)(H,32,34)(H,28,31,35)
InChIKeyKUMPOCREHRFYTG-UHFFFAOYSA-N
XLogP3.42
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-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 N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 142495174) is N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide is CC1CCC(C(NC(=O)c2ccnn2C(C)C)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3)CC1.
What is the InChIKey of N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is KUMPOCREHRFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4/c1-16(2)33-21(8-11-29-33)24(34)32-23(18-6-4-17(3)5-7-18)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,4-7,9-10,12-13H2,1-3H3,(H,30,36)(H,32,34)(H,28,31,35).
What are the key properties of N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexyl)-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 142495174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).