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

C19H19Cl2N5O2 — CID 170427091

IUPAC2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H19Cl2N5O2/c1-10(27)22-8-16(28)25-12-2-5-15-17(11-6-23-24-7-11)13-3-4-14(20)18(21)19(13)26(15)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyOJCUGYPFSILVSC-UHFFFAOYSA-N
MW420.30 g/mol
LogP2.91
Rot. Bonds4

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

2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide (PubChem CID 170427091) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
PubChem CID170427091
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C19H19Cl2N5O2/c1-10(27)22-8-16(28)25-12-2-5-15-17(11-6-23-24-7-11)13-3-4-14(20)18(21)19(13)26(15)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyOJCUGYPFSILVSC-UHFFFAOYSA-N
XLogP2.91
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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 252
CID 170427166
US20230391786, Example 263
CID 170427235

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-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 2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide (CID 170427091) is 2-acetamido-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 2-acetamido-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 2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide is CC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide?
The InChIKey is OJCUGYPFSILVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-10(27)22-8-16(28)25-12-2-5-15-17(11-6-23-24-7-11)13-3-4-14(20)18(21)19(13)26(15)9-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,22,27)(H,23,24)(H,25,28).
What are the key properties of 2-acetamido-N-[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]acetamide?
2-acetamido-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 420.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-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 170427091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).