N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide

C19H21Cl2N5O3S — CID 170426620

IUPACN-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H21Cl2N5O3S/c1-11(27)22-6-7-30(28,29)25-13-2-5-16-17(12-8-23-24-9-12)14-3-4-15(20)18(21)19(14)26(16)10-13/h3-4,8-9,13,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyWKSSQFFDRYFKFX-UHFFFAOYSA-N
MW470.38 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide

N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide (PubChem CID 170426620) has the molecular formula C19H21Cl2N5O3S and a molecular weight of 470.38 g/mol. Its IUPAC name is N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide
PubChem CID170426620
Molecular FormulaC19H21Cl2N5O3S
Molecular Weight470.38 g/mol
Exact Mass469.07
IUPAC NameN-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H21Cl2N5O3S/c1-11(27)22-6-7-30(28,29)25-13-2-5-16-17(12-8-23-24-9-12)14-3-4-15(20)18(21)19(14)26(16)10-13/h3-4,8-9,13,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24)
InChIKeyWKSSQFFDRYFKFX-UHFFFAOYSA-N
XLogP2.71
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide with MolForge

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Related Compounds

US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-piperazin-1-ylacetamide
CID 166626547
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
CID 166627122
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide
CID 166627819
1-[6,7-Dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-(methylamino)ethanone
CID 166631177
US20230391786, Example 20
CID 170426488
US20230391786, Example 154
CID 170426540
US20230391786, Example 33
CID 170426625
US20230391786, Example 81
CID 170426632

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide?
The IUPAC name of N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide (CID 170426620) is N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide?
The canonical SMILES for N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide is CC(=O)NCCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide?
The InChIKey is WKSSQFFDRYFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O3S/c1-11(27)22-6-7-30(28,29)25-13-2-5-16-17(12-8-23-24-9-12)14-3-4-15(20)18(21)19(14)26(16)10-13/h3-4,8-9,13,25H,2,5-7,10H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide?
N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide has a molecular weight of 470.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]ethyl]acetamide is sourced from PubChem (CID 170426620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).