N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide

C20H20ClN7O4S — CID 86662645

IUPACN-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)cnc1Cl
InChIInChI=1S/C20H20ClN7O4S/c1-33(29,30)27-17-8-13(9-22-19(17)21)12-6-14(15-10-23-24-16(15)7-12)20-26-25-18(32-20)11-28-2-4-31-5-3-28/h6-10,27H,2-5,11H2,1H3,(H,23,24)
InChIKeyCGKCFBDIAXAVLL-UHFFFAOYSA-N
MW489.95 g/mol
LogP2.53
Rot. Bonds6

About N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide

N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 86662645) has the molecular formula C20H20ClN7O4S and a molecular weight of 489.95 g/mol. Its IUPAC name is N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID86662645
Molecular FormulaC20H20ClN7O4S
Molecular Weight489.95 g/mol
Exact Mass489.10
IUPAC NameN-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)cnc1Cl
InChIInChI=1S/C20H20ClN7O4S/c1-33(29,30)27-17-8-13(9-22-19(17)21)12-6-14(15-10-23-24-16(15)7-12)20-26-25-18(32-20)11-28-2-4-31-5-3-28/h6-10,27H,2-5,11H2,1H3,(H,23,24)
InChIKeyCGKCFBDIAXAVLL-UHFFFAOYSA-N
XLogP2.53
TPSA139.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
CID 88951727
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-[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
decanedioic acid;bis(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)
CID 78318942
4-[[5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylmorpholine
CID 66695778
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-methoxy-3-pyridinyl]methanesulfonamide;naphthalene-1,2-disulfonic acid
CID 56932831
N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid
CID 159985886
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 44540955
2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
CID 67226900

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide (CID 86662645) is N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2cc(-c3nnc(CN4CCOCC4)o3)c3cn[nH]c3c2)cnc1Cl.
What is the InChIKey of N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is CGKCFBDIAXAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O4S/c1-33(29,30)27-17-8-13(9-22-19(17)21)12-6-14(15-10-23-24-16(15)7-12)20-26-25-18(32-20)11-28-2-4-31-5-3-28/h6-10,27H,2-5,11H2,1H3,(H,23,24).
What are the key properties of N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 489.95 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 86662645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).