N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide

C19H21IN6O4S — CID 88951727

IUPACN-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cc(-c2cc(NC(=O)CN3CCOCC3)c3cn[nH]c3c2)cnc1I
InChIInChI=1S/C19H21IN6O4S/c1-31(28,29)25-17-8-13(9-21-19(17)20)12-6-15(14-10-22-24-16(14)7-12)23-18(27)11-26-2-4-30-5-3-26/h6-10,25H,2-5,11H2,1H3,(H,22,24)(H,23,27)
InChIKeyZJXFXTJUJMEMPO-UHFFFAOYSA-N
MW556.39 g/mol
LogP1.87
Rot. Bonds6

About N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide

N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 88951727) has the molecular formula C19H21IN6O4S and a molecular weight of 556.39 g/mol. Its IUPAC name is N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
PubChem CID88951727
Molecular FormulaC19H21IN6O4S
Molecular Weight556.39 g/mol
Exact Mass556.04
IUPAC NameN-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cc(-c2cc(NC(=O)CN3CCOCC3)c3cn[nH]c3c2)cnc1I
InChIInChI=1S/C19H21IN6O4S/c1-31(28,29)25-17-8-13(9-21-19(17)20)12-6-15(14-10-22-24-16(14)7-12)23-18(27)11-26-2-4-30-5-3-26/h6-10,25H,2-5,11H2,1H3,(H,22,24)(H,23,27)
InChIKeyZJXFXTJUJMEMPO-UHFFFAOYSA-N
XLogP1.87
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.39
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 44540955
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 155566309
2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
CID 67226900
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)-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 44539936
2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873860
N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66911246
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 59361987

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (CID 88951727) is N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is CS(=O)(=O)Nc1cc(-c2cc(NC(=O)CN3CCOCC3)c3cn[nH]c3c2)cnc1I.
What is the InChIKey of N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is ZJXFXTJUJMEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN6O4S/c1-31(28,29)25-17-8-13(9-21-19(17)20)12-6-15(14-10-22-24-16(14)7-12)23-18(27)11-26-2-4-30-5-3-26/h6-10,25H,2-5,11H2,1H3,(H,22,24)(H,23,27).
What are the key properties of N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 556.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-iodo-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 88951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).