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

C17H16Cl2N4O — CID 170426488

IUPACN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C17H16Cl2N4O/c1-9(24)22-11-2-5-14-15(10-6-20-21-7-10)12-3-4-13(18)16(19)17(12)23(14)8-11/h3-4,6-7,11H,2,5,8H2,1H3,(H,20,21)(H,22,24)
InChIKeyDDCCECWXXJIJNB-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.79
Rot. Bonds2

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

N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide (PubChem CID 170426488) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 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]acetamide.

Molecular Properties

Compound NameN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
PubChem CID170426488
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC NameN-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C17H16Cl2N4O/c1-9(24)22-11-2-5-14-15(10-6-20-21-7-10)12-3-4-13(18)16(19)17(12)23(14)8-11/h3-4,6-7,11H,2,5,8H2,1H3,(H,20,21)(H,22,24)
InChIKeyDDCCECWXXJIJNB-UHFFFAOYSA-N
XLogP3.79
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
cGAS inhibitor TDI007635
CID 139387817
1-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-hydroxyethanone
CID 139388865
US20230391786, Example 274
CID 170426644
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560

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]acetamide?
The IUPAC name of N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide (CID 170426488) is N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide.
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]acetamide?
The canonical SMILES for N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide is CC(=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]acetamide?
The InChIKey is DDCCECWXXJIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-9(24)22-11-2-5-14-15(10-6-20-21-7-10)12-3-4-13(18)16(19)17(12)23(14)8-11/h3-4,6-7,11H,2,5,8H2,1H3,(H,20,21)(H,22,24).
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]acetamide?
N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide has a molecular weight of 363.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 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]acetamide is sourced from PubChem (CID 170426488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).