N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid

C34H36N6O11S3 — CID 56932831

IUPACN-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid
SMILESCOc1ncc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.O=S(=O)(O)c1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C24H28N6O5S.C10H8O6S2/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17;11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28);1-6H,(H,11,12,13)(H,14,15,16)/t14-,15+;
InChIKeyDPOHMBLFSNVRHA-KBGJBQQCSA-N
MW800.89 g/mol
LogP4.60
Rot. Bonds9

About N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid

N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid (PubChem CID 56932831) has the molecular formula C34H36N6O11S3 and a molecular weight of 800.89 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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid.

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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid
PubChem CID56932831
Molecular FormulaC34H36N6O11S3
Molecular Weight800.89 g/mol
Exact Mass800.16
IUPAC NameN-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid
SMILESCOc1ncc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.O=S(=O)(O)c1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C24H28N6O5S.C10H8O6S2/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17;11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28);1-6H,(H,11,12,13)(H,14,15,16)/t14-,15+;
InChIKeyDPOHMBLFSNVRHA-KBGJBQQCSA-N
XLogP4.60
TPSA244.21 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.89
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid with MolForge

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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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid?
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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid (CID 56932831) is N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid.
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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid?
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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid is COc1ncc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O.O=S(=O)(O)c1ccc2ccccc2c1S(=O)(=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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid?
The InChIKey is DPOHMBLFSNVRHA-KBGJBQQCSA-N. The full InChI is InChI=1S/C24H28N6O5S.C10H8O6S2/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17;11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28);1-6H,(H,11,12,13)(H,14,15,16)/t14-,15+;.
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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid?
N-[5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid has a molecular weight of 800.89 g/mol, XLogP of 4.60, 9 rotatable bonds, 4 hydrogen bond donors, and 13 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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid is sourced from PubChem (CID 56932831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).