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

C16H18Cl2N4OS — CID 170610264

IUPACN-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide
SMILESCS(=O)NC1CCc2c(C3=CNNC3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H18Cl2N4OS/c1-24(23)21-10-2-5-13-14(9-6-19-20-7-9)11-3-4-12(17)15(18)16(11)22(13)8-10/h3-4,6,10,19-21H,2,5,7-8H2,1H3
InChIKeyAMCXDICDOUPMLD-UHFFFAOYSA-N
MW385.32 g/mol
LogP2.59
Rot. Bonds3

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

N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide (PubChem CID 170610264) has the molecular formula C16H18Cl2N4OS and a molecular weight of 385.32 g/mol. Its IUPAC name is N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide
PubChem CID170610264
Molecular FormulaC16H18Cl2N4OS
Molecular Weight385.32 g/mol
Exact Mass384.06
IUPAC NameN-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide
SMILESCS(=O)NC1CCc2c(C3=CNNC3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H18Cl2N4OS/c1-24(23)21-10-2-5-13-14(9-6-19-20-7-9)11-3-4-12(17)15(18)16(11)22(13)8-10/h3-4,6,10,19-21H,2,5,7-8H2,1H3
InChIKeyAMCXDICDOUPMLD-UHFFFAOYSA-N
XLogP2.59
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

US20230391786, Example 22
CID 170426929
US20230391786, Example 41
CID 170427601
US20230391786, Example 116
CID 170795225
US20230391786, Example 129
CID 170795229
US20230391786, Example 246
CID 170795263
6,7-Dichloro-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 16064377
N-[3-(6,7-dichloro-2-methylindol-1-yl)propyl]methanesulfonamide
CID 21884276
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 22338093
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 22338094
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 68889184
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 68889185
3,4-Dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 170427640

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide?
The IUPAC name of N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide (CID 170610264) is N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide.
What is the SMILES notation for N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide?
The canonical SMILES for N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide is CS(=O)NC1CCc2c(C3=CNNC3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide?
The InChIKey is AMCXDICDOUPMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4OS/c1-24(23)21-10-2-5-13-14(9-6-19-20-7-9)11-3-4-12(17)15(18)16(11)22(13)8-10/h3-4,6,10,19-21H,2,5,7-8H2,1H3.
What are the key properties of N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide?
N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide has a molecular weight of 385.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfinamide is sourced from PubChem (CID 170610264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).