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

C16H16Cl2N4O2S — CID 170426929

IUPACN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H16Cl2N4O2S/c1-25(23,24)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/h3-4,6-7,10,21H,2,5,8H2,1H3,(H,19,20)
InChIKeyKYZLXKKIPHAPTM-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.20
Rot. Bonds3

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

N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide (PubChem CID 170426929) has the molecular formula C16H16Cl2N4O2S and a molecular weight of 399.30 g/mol. Its IUPAC name is N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide
PubChem CID170426929
Molecular FormulaC16H16Cl2N4O2S
Molecular Weight399.30 g/mol
Exact Mass398.04
IUPAC NameN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C16H16Cl2N4O2S/c1-25(23,24)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/h3-4,6-7,10,21H,2,5,8H2,1H3,(H,19,20)
InChIKeyKYZLXKKIPHAPTM-UHFFFAOYSA-N
XLogP3.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US20230391786, Example 256
CID 170426856
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CID 170427235
US20230391786, Example 20
CID 170426488
US20230391786, Example 119
CID 170426620
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718
US20230391786, Example 253
CID 170426728
US20230391786, Example 5
CID 170426740
US20230391786, Example 8
CID 170426767
US20230391786, Example 238
CID 170426799
US20230391786, Example 196
CID 170426846
US20230391786, Example 73
CID 170426848

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide (CID 170426929) is N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide is CS(=O)(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide?
The InChIKey is KYZLXKKIPHAPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2S/c1-25(23,24)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/h3-4,6-7,10,21H,2,5,8H2,1H3,(H,19,20).
What are the key properties of N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide?
N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]methanesulfonamide is sourced from PubChem (CID 170426929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).