N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

C25H30FN5O3S — CID 153337669

IUPACN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)cc1C(C)N(C)C
InChIInChI=1S/C25H30FN5O3S/c1-5-31-23(16(2)30(3)4)15-25(28-31)35(33,34)29-24(32)14-21-18-7-6-8-19(18)22(26)13-20(21)17-9-11-27-12-10-17/h9-13,15-16H,5-8,14H2,1-4H3,(H,29,32)
InChIKeyNAHANQGSGZZUNG-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.26
Rot. Bonds8

About N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide

N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (PubChem CID 153337669) has the molecular formula C25H30FN5O3S and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
PubChem CID153337669
Molecular FormulaC25H30FN5O3S
Molecular Weight499.61 g/mol
Exact Mass499.21
IUPAC NameN-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide
SMILESCCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)cc1C(C)N(C)C
InChIInChI=1S/C25H30FN5O3S/c1-5-31-23(16(2)30(3)4)15-25(28-31)35(33,34)29-24(32)14-21-18-7-6-8-19(18)22(26)13-20(21)17-9-11-27-12-10-17/h9-13,15-16H,5-8,14H2,1-4H3,(H,29,32)
InChIKeyNAHANQGSGZZUNG-UHFFFAOYSA-N
XLogP3.26
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US11530200, Example 7
CID 155463941
US11530200, Example 9
CID 155464035
US11530200, Example 16
CID 150256271
US11530200, Example 2
CID 155463940
US11530200, Example 27
CID 155464201
US11530200, Example 11
CID 155464272
US11530200, Example 30
CID 153337689
US11530200, Example 15
CID 153337681
US11530200, Example 1
CID 155463817
US11530200, Example 8
CID 155464033
N-[4-[5-(2-methyl-5-pyridin-4-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylacetamide
CID 78324978
N-[6-[1-(difluoromethyl)pyrazol-4-yl]-5-sulfamoylpyridin-3-yl]-2-(2-fluorophenyl)acetamide
CID 132087555

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The IUPAC name of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide (CID 153337669) is N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide.
What is the SMILES notation for N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The canonical SMILES for N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is CCn1nc(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)cc1C(C)N(C)C.
What is the InChIKey of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
The InChIKey is NAHANQGSGZZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3S/c1-5-31-23(16(2)30(3)4)15-25(28-31)35(33,34)29-24(32)14-21-18-7-6-8-19(18)22(26)13-20(21)17-9-11-27-12-10-17/h9-13,15-16H,5-8,14H2,1-4H3,(H,29,32).
What are the key properties of N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide?
N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide has a molecular weight of 499.61 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(dimethylamino)ethyl]-1-ethylpyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide is sourced from PubChem (CID 153337669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).