2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide

C23H21N5O3S — CID 155463817

IUPAC2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide
SMILESN#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C23H21N5O3S/c24-14-17-12-16(8-10-25-17)20-7-4-15-2-1-3-19(15)21(20)13-22(29)27-32(30,31)23-9-11-28(26-23)18-5-6-18/h4,7-12,18H,1-3,5-6,13H2,(H,27,29)
InChIKeyLRVRCWFPOSCSGV-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.69
Rot. Bonds6

About 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide

2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide (PubChem CID 155463817) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide
PubChem CID155463817
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide
SMILESN#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C23H21N5O3S/c24-14-17-12-16(8-10-25-17)20-7-4-15-2-1-3-19(15)21(20)13-22(29)27-32(30,31)23-9-11-28(26-23)18-5-6-18/h4,7-12,18H,1-3,5-6,13H2,(H,27,29)
InChIKeyLRVRCWFPOSCSGV-UHFFFAOYSA-N
XLogP2.69
TPSA117.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide?
The IUPAC name of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide (CID 155463817) is 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide?
The canonical SMILES for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide is N#Cc1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.
What is the InChIKey of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide?
The InChIKey is LRVRCWFPOSCSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-14-17-12-16(8-10-25-17)20-7-4-15-2-1-3-19(15)21(20)13-22(29)27-32(30,31)23-9-11-28(26-23)18-5-6-18/h4,7-12,18H,1-3,5-6,13H2,(H,27,29).
What are the key properties of 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide?
2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide has a molecular weight of 447.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-cyclopropylpyrazol-3-yl)sulfonylacetamide is sourced from PubChem (CID 155463817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).