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

C19H22N6O4S — CID 67226900

IUPAC2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cncc(-c2cc(C(C(N)=O)N3CCOCC3)c3cn[nH]c3c2)c1
InChIInChI=1S/C19H22N6O4S/c1-30(27,28)24-14-6-13(9-21-10-14)12-7-15(16-11-22-23-17(16)8-12)18(19(20)26)25-2-4-29-5-3-25/h6-11,18,24H,2-5H2,1H3,(H2,20,26)(H,22,23)
InChIKeySOCDGBGCMYOXSN-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.86
Rot. Bonds6

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

2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 67226900) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
PubChem CID67226900
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Name2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESCS(=O)(=O)Nc1cncc(-c2cc(C(C(N)=O)N3CCOCC3)c3cn[nH]c3c2)c1
InChIInChI=1S/C19H22N6O4S/c1-30(27,28)24-14-6-13(9-21-10-14)12-7-15(16-11-22-23-17(16)8-12)18(19(20)26)25-2-4-29-5-3-25/h6-11,18,24H,2-5H2,1H3,(H2,20,26)(H,22,23)
InChIKeySOCDGBGCMYOXSN-UHFFFAOYSA-N
XLogP0.86
TPSA143.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (CID 67226900) is 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is CS(=O)(=O)Nc1cncc(-c2cc(C(C(N)=O)N3CCOCC3)c3cn[nH]c3c2)c1.
What is the InChIKey of 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is SOCDGBGCMYOXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-30(27,28)24-14-6-13(9-21-10-14)12-7-15(16-11-22-23-17(16)8-12)18(19(20)26)25-2-4-29-5-3-25/h6-11,18,24H,2-5H2,1H3,(H2,20,26)(H,22,23).
What are the key properties of 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 430.49 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 67226900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).