N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide

C23H27N3O5S — CID 155525057

IUPACN-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide
SMILESCOc1cc(-c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cnc1OCC(C)C
InChIInChI=1S/C23H27N3O5S/c1-14(2)13-31-23-21(30-4)10-16(11-24-23)19-12-26(3)20-9-15(5-8-18(19)20)22(27)25-32(28,29)17-6-7-17/h5,8-12,14,17H,6-7,13H2,1-4H3,(H,25,27)
InChIKeyCUXAPKNXWSOMEJ-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.51
Rot. Bonds8

About N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide

N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide (PubChem CID 155525057) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide
PubChem CID155525057
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide
SMILESCOc1cc(-c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cnc1OCC(C)C
InChIInChI=1S/C23H27N3O5S/c1-14(2)13-31-23-21(30-4)10-16(11-24-23)19-12-26(3)20-9-15(5-8-18(19)20)22(27)25-32(28,29)17-6-7-17/h5,8-12,14,17H,6-7,13H2,1-4H3,(H,25,27)
InChIKeyCUXAPKNXWSOMEJ-UHFFFAOYSA-N
XLogP3.51
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide (CID 155525057) is N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide is COc1cc(-c2cn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)ccc23)cnc1OCC(C)C.
What is the InChIKey of N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide?
The InChIKey is CUXAPKNXWSOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-14(2)13-31-23-21(30-4)10-16(11-24-23)19-12-26(3)20-9-15(5-8-18(19)20)22(27)25-32(28,29)17-6-7-17/h5,8-12,14,17H,6-7,13H2,1-4H3,(H,25,27).
What are the key properties of N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide?
N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-3-[5-methoxy-6-(2-methylpropoxy)-3-pyridinyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 155525057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).