N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

C23H24N4O4S — CID 153337688

IUPACN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C23H24N4O4S/c1-31-22-13-16(9-11-24-22)19-8-5-15-3-2-4-18(15)20(19)14-21(28)26-32(29,30)23-10-12-27(25-23)17-6-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,26,28)
InChIKeyZYERXTPJTVBDSQ-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.82
Rot. Bonds7

About N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 153337688) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
PubChem CID153337688
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C23H24N4O4S/c1-31-22-13-16(9-11-24-22)19-8-5-15-3-2-4-18(15)20(19)14-21(28)26-32(29,30)23-10-12-27(25-23)17-6-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,26,28)
InChIKeyZYERXTPJTVBDSQ-UHFFFAOYSA-N
XLogP2.82
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (CID 153337688) is N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is COc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.
What is the InChIKey of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The InChIKey is ZYERXTPJTVBDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-31-22-13-16(9-11-24-22)19-8-5-15-3-2-4-18(15)20(19)14-21(28)26-32(29,30)23-10-12-27(25-23)17-6-7-17/h5,8-13,17H,2-4,6-7,14H2,1H3,(H,26,28).
What are the key properties of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 452.54 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 153337688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).