2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole

C26H34N8O4S — CID 118035868

IUPAC2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole
SMILESCOc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)N(C(C)C)[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1CNS(=O)O
InChIInChI=1S/C26H34N8O4S/c1-15(2)34-16(3)12-33(13-17(34)4)14-24-31-32-26(38-24)21-7-18(8-23-22(21)11-28-30-23)19-6-20(10-29-39(35)36)25(37-5)27-9-19/h6-9,11,15-17,29H,10,12-14H2,1-5H3,(H,28,30)(H,35,36)/t16-,17+
InChIKeySNMJFEZYQNKKOE-CALCHBBNSA-N
MW554.68 g/mol
LogP3.21
Rot. Bonds9

About 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole

2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole (PubChem CID 118035868) has the molecular formula C26H34N8O4S and a molecular weight of 554.68 g/mol. Its IUPAC name is 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole
PubChem CID118035868
Molecular FormulaC26H34N8O4S
Molecular Weight554.68 g/mol
Exact Mass554.24
IUPAC Name2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole
SMILESCOc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)N(C(C)C)[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1CNS(=O)O
InChIInChI=1S/C26H34N8O4S/c1-15(2)34-16(3)12-33(13-17(34)4)14-24-31-32-26(38-24)21-7-18(8-23-22(21)11-28-30-23)19-6-20(10-29-39(35)36)25(37-5)27-9-19/h6-9,11,15-17,29H,10,12-14H2,1-5H3,(H,28,30)(H,35,36)/t16-,17+
InChIKeySNMJFEZYQNKKOE-CALCHBBNSA-N
XLogP3.21
TPSA145.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.68
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 66692266
[2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
CID 90833420
N-[5-[2-[5-[(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-4-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172767
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;4-methylbenzenesulfonic acid
CID 56932777
N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
CID 86662645
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
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
CID 66695778
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
N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 66695669
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255735
4-[[2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3-oxazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 90975633
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58255832

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole (CID 118035868) is 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole is COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)N(C(C)C)[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1CNS(=O)O.
What is the InChIKey of 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is SNMJFEZYQNKKOE-CALCHBBNSA-N. The full InChI is InChI=1S/C26H34N8O4S/c1-15(2)34-16(3)12-33(13-17(34)4)14-24-31-32-26(38-24)21-7-18(8-23-22(21)11-28-30-23)19-6-20(10-29-39(35)36)25(37-5)27-9-19/h6-9,11,15-17,29H,10,12-14H2,1-5H3,(H,28,30)(H,35,36)/t16-,17+.
What are the key properties of 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole?
2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 554.68 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-5-[6-[6-methoxy-5-[(sulfinoamino)methyl]-3-pyridinyl]-1H-indazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 118035868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).