N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide

C25H29N5O5S — CID 71461549

IUPACN-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C25H29N5O5S/c1-15-12-30(13-16(2)34-15)14-19-10-26-25(35-19)20-7-18(9-22-21(20)11-27-28-22)17-5-6-24(33-3)23(8-17)29-36(4,31)32/h5-11,15-16,29H,12-14H2,1-4H3,(H,27,28)/t15-,16+
InChIKeySDKPPLPIRKHEAM-IYBDPMFKSA-N
MW511.60 g/mol
LogP3.87
Rot. Bonds7

About N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide

N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide (PubChem CID 71461549) has the molecular formula C25H29N5O5S and a molecular weight of 511.60 g/mol. Its IUPAC name is N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide
PubChem CID71461549
Molecular FormulaC25H29N5O5S
Molecular Weight511.60 g/mol
Exact Mass511.19
IUPAC NameN-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C25H29N5O5S/c1-15-12-30(13-16(2)34-15)14-19-10-26-25(35-19)20-7-18(9-22-21(20)11-27-28-22)17-5-6-24(33-3)23(8-17)29-36(4,31)32/h5-11,15-16,29H,12-14H2,1-4H3,(H,27,28)/t15-,16+
InChIKeySDKPPLPIRKHEAM-IYBDPMFKSA-N
XLogP3.87
TPSA122.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide 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-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide (CID 71461549) is N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide is COc1ccc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide?
The InChIKey is SDKPPLPIRKHEAM-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H29N5O5S/c1-15-12-30(13-16(2)34-15)14-19-10-26-25(35-19)20-7-18(9-22-21(20)11-27-28-22)17-5-6-24(33-3)23(8-17)29-36(4,31)32/h5-11,15-16,29H,12-14H2,1-4H3,(H,27,28)/t15-,16+.
What are the key properties of N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide?
N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide has a molecular weight of 511.60 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 71461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).