N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C23H27N7O5S — CID 66692266

IUPACN-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCCC1CN(Cc2nnc(-c3cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)o2)CCO1
InChIInChI=1S/C23H27N7O5S/c1-4-16-12-30(5-6-34-16)13-21-27-28-22(35-21)17-7-14(8-19-18(17)11-25-26-19)15-9-20(29-36(3,31)32)23(33-2)24-10-15/h7-11,16,29H,4-6,12-13H2,1-3H3,(H,25,26)
InChIKeyTUKZQZUYFPFIJB-UHFFFAOYSA-N
MW513.58 g/mol
LogP2.67
Rot. Bonds8

About N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 66692266) has the molecular formula C23H27N7O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID66692266
Molecular FormulaC23H27N7O5S
Molecular Weight513.58 g/mol
Exact Mass513.18
IUPAC NameN-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCCC1CN(Cc2nnc(-c3cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)o2)CCO1
InChIInChI=1S/C23H27N7O5S/c1-4-16-12-30(5-6-34-16)13-21-27-28-22(35-21)17-7-14(8-19-18(17)11-25-26-19)15-9-20(29-36(3,31)32)23(33-2)24-10-15/h7-11,16,29H,4-6,12-13H2,1-3H3,(H,25,26)
InChIKeyTUKZQZUYFPFIJB-UHFFFAOYSA-N
XLogP2.67
TPSA148.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
CID 86662645
2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67155536
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-[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
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-[[(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
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
[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
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
CID 66695778
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
N-[2-methoxy-5-[7-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]-3-pyridinyl]methanesulfonamide
CID 155541900
4-[[5-[1-(benzenesulfonyl)-6-bromoindazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-ethylmorpholine
CID 66776457

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of 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) is N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is CCC1CN(Cc2nnc(-c3cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)o2)CCO1.
What is the InChIKey of N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is TUKZQZUYFPFIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O5S/c1-4-16-12-30(5-6-34-16)13-21-27-28-22(35-21)17-7-14(8-19-18(17)11-25-26-19)15-9-20(29-36(3,31)32)23(33-2)24-10-15/h7-11,16,29H,4-6,12-13H2,1-3H3,(H,25,26).
What are the key properties of N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 513.58 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66692266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).