2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide

C22H25N5O3S — CID 70369673

IUPAC2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(C)C)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C22H25N5O3S/c1-14(2)26-31(28,29)17-12-24-22(25-13-17)21-19(11-23)18-9-8-16(30-3)10-20(18)27(21)15-6-4-5-7-15/h8-10,12-15,26H,4-7H2,1-3H3
InChIKeyBZTNGSOEQDEJGA-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide

2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 70369673) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID70369673
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(C)C)cn3)n(C3CCCC3)c2c1
InChIInChI=1S/C22H25N5O3S/c1-14(2)26-31(28,29)17-12-24-22(25-13-17)21-19(11-23)18-9-8-16(30-3)10-20(18)27(21)15-6-4-5-7-15/h8-10,12-15,26H,4-7H2,1-3H3
InChIKeyBZTNGSOEQDEJGA-UHFFFAOYSA-N
XLogP3.78
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide (CID 70369673) is 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide is COc1ccc2c(C#N)c(-c3ncc(S(=O)(=O)NC(C)C)cn3)n(C3CCCC3)c2c1.
What is the InChIKey of 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is BZTNGSOEQDEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-14(2)26-31(28,29)17-12-24-22(25-13-17)21-19(11-23)18-9-8-16(30-3)10-20(18)27(21)15-6-4-5-7-15/h8-10,12-15,26H,4-7H2,1-3H3.
What are the key properties of 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide?
2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 439.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 70369673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).