4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C23H36FN5O2 — CID 167380513

IUPAC4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)N[C@@H]3CCC[C@@H](N4CCn5c(cn(C)c5=O)C4)C3)NC12
InChIInChI=1S/C23H36FN5O2/c1-14-6-7-19(24)18-11-20(26-21(14)18)22(30)25-15-4-3-5-16(10-15)28-8-9-29-17(13-28)12-27(2)23(29)31/h12,14-16,18-21,26H,3-11,13H2,1-2H3,(H,25,30)/t14?,15-,16-,18?,19?,20?,21?/m1/s1
InChIKeyROFWHLLVPYYMNR-IDBRHNCUSA-N
MW433.57 g/mol
LogP1.54
Rot. Bonds3

About 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167380513) has the molecular formula C23H36FN5O2 and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167380513
Molecular FormulaC23H36FN5O2
Molecular Weight433.57 g/mol
Exact Mass433.29
IUPAC Name4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)N[C@@H]3CCC[C@@H](N4CCn5c(cn(C)c5=O)C4)C3)NC12
InChIInChI=1S/C23H36FN5O2/c1-14-6-7-19(24)18-11-20(26-21(14)18)22(30)25-15-4-3-5-16(10-15)28-8-9-29-17(13-28)12-27(2)23(29)31/h12,14-16,18-21,26H,3-11,13H2,1-2H3,(H,25,30)/t14?,15-,16-,18?,19?,20?,21?/m1/s1
InChIKeyROFWHLLVPYYMNR-IDBRHNCUSA-N
XLogP1.54
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-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 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167380513) is 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)N[C@@H]3CCC[C@@H](N4CCn5c(cn(C)c5=O)C4)C3)NC12.
What is the InChIKey of 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is ROFWHLLVPYYMNR-IDBRHNCUSA-N. The full InChI is InChI=1S/C23H36FN5O2/c1-14-6-7-19(24)18-11-20(26-21(14)18)22(30)25-15-4-3-5-16(10-15)28-8-9-29-17(13-28)12-27(2)23(29)31/h12,14-16,18-21,26H,3-11,13H2,1-2H3,(H,25,30)/t14?,15-,16-,18?,19?,20?,21?/m1/s1.
What are the key properties of 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-N-[(1R,3R)-3-(2-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167380513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).