N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide

C23H25N5O2S — CID 3011210

IUPACN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide
SMILESCc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccncc4)c3)cc12
InChIInChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27)
InChIKeyBDHXGZJGAYRSPJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.80
Rot. Bonds7

About N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide

N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide (PubChem CID 3011210) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide
PubChem CID3011210
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide
SMILESCc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccncc4)c3)cc12
InChIInChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27)
InChIKeyBDHXGZJGAYRSPJ-UHFFFAOYSA-N
XLogP4.80
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide (CID 3011210) is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide is Cc1[nH]nc2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4ccncc4)c3)cc12.
What is the InChIKey of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide?
The InChIKey is BDHXGZJGAYRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27).
What are the key properties of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide?
N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3011210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).