2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

C24H22Cl2N6O5S — CID 145175458

IUPAC2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)NS(=O)(=O)n2ncc3c(Cl)nc(Cl)cc32)cc1
InChIInChI=1S/C24H22Cl2N6O5S/c1-31(16-8-10-17(37-2)11-9-16)23(33)19(12-15-6-4-3-5-7-15)28-24(34)30-38(35,36)32-20-13-21(25)29-22(26)18(20)14-27-32/h3-11,13-14,19H,12H2,1-2H3,(H2,28,30,34)
InChIKeyLQLXMPMPHDBERX-UHFFFAOYSA-N
MW577.45 g/mol
LogP3.41
Rot. Bonds8

About 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 145175458) has the molecular formula C24H22Cl2N6O5S and a molecular weight of 577.45 g/mol. Its IUPAC name is 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID145175458
Molecular FormulaC24H22Cl2N6O5S
Molecular Weight577.45 g/mol
Exact Mass576.07
IUPAC Name2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)NS(=O)(=O)n2ncc3c(Cl)nc(Cl)cc32)cc1
InChIInChI=1S/C24H22Cl2N6O5S/c1-31(16-8-10-17(37-2)11-9-16)23(33)19(12-15-6-4-3-5-7-15)28-24(34)30-38(35,36)32-20-13-21(25)29-22(26)18(20)14-27-32/h3-11,13-14,19H,12H2,1-2H3,(H2,28,30,34)
InChIKeyLQLXMPMPHDBERX-UHFFFAOYSA-N
XLogP3.41
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-2-methylindol-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594950
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylsulfonylcarbamoylamino)-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594894
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
(2S)-N-(4-methoxyphenyl)-N-methyl-2-(naphthalen-2-ylsulfamoylcarbamoylamino)-3-phenylpropanamide
CID 122648220
(2S)-2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-ylsulfonylcarbamoylamino)-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648250
(2S)-N-(4-methoxyphenyl)-2-[[(2-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648448
(2S)-2-[(4-tert-butylphenyl)sulfamoylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 122648148
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
5-N-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3,5-dicarboxamide
CID 145176101
(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfamoylcarbamoylamino]propanamide
CID 122648302

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (CID 145175458) is 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is COc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)NS(=O)(=O)n2ncc3c(Cl)nc(Cl)cc32)cc1.
What is the InChIKey of 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is LQLXMPMPHDBERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N6O5S/c1-31(16-8-10-17(37-2)11-9-16)23(33)19(12-15-6-4-3-5-7-15)28-24(34)30-38(35,36)32-20-13-21(25)29-22(26)18(20)14-27-32/h3-11,13-14,19H,12H2,1-2H3,(H2,28,30,34).
What are the key properties of 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 577.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloropyrazolo[4,3-c]pyridin-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 145175458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).