6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine

C42H42N12O7S2 — CID 162124336

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCN.CS(=O)(=O)CCNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C21H20N6O3S.C18H13N5O2.C3H9NO2S/c1-31(29,30)8-7-24-21(28)18-3-2-4-20(26-18)27-19-10-14(5-6-15(19)12-25-27)16-9-17(22)13-23-11-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-7(5,6)3-2-4/h2-6,9-13H,7-8,22H2,1H3,(H,24,28);1-10H,19H2,(H,24,25);2-4H2,1H3
InChIKeyZHVDIRIOGJIMRI-UHFFFAOYSA-N
MW891.01 g/mol
LogP3.59
Rot. Bonds11

About 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine (PubChem CID 162124336) has the molecular formula C42H42N12O7S2 and a molecular weight of 891.01 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine
PubChem CID162124336
Molecular FormulaC42H42N12O7S2
Molecular Weight891.01 g/mol
Exact Mass890.27
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine
SMILESCS(=O)(=O)CCN.CS(=O)(=O)CCNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C21H20N6O3S.C18H13N5O2.C3H9NO2S/c1-31(29,30)8-7-24-21(28)18-3-2-4-20(26-18)27-19-10-14(5-6-15(19)12-25-27)16-9-17(22)13-23-11-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-7(5,6)3-2-4/h2-6,9-13H,7-8,22H2,1H3,(H,24,28);1-10H,19H2,(H,24,25);2-4H2,1H3
InChIKeyZHVDIRIOGJIMRI-UHFFFAOYSA-N
XLogP3.59
TPSA299.94 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.01
LogP ≤ 53.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine (CID 162124336) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine is CS(=O)(=O)CCN.CS(=O)(=O)CCNC(=O)c1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine?
The InChIKey is ZHVDIRIOGJIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S.C18H13N5O2.C3H9NO2S/c1-31(29,30)8-7-24-21(28)18-3-2-4-20(26-18)27-19-10-14(5-6-15(19)12-25-27)16-9-17(22)13-23-11-16;19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25;1-7(5,6)3-2-4/h2-6,9-13H,7-8,22H2,1H3,(H,24,28);1-10H,19H2,(H,24,25);2-4H2,1H3.
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine has a molecular weight of 891.01 g/mol, XLogP of 3.59, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide;6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid;2-methylsulfonylethanamine is sourced from PubChem (CID 162124336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).