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

C23H28Cl2N6O2 — CID 170426846

IUPAC6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide
SMILESNCCCCCC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C23H28Cl2N6O2/c24-17-7-6-16-21(14-10-28-29-11-14)18-8-5-15(13-31(18)23(16)22(17)25)30-20(33)12-27-19(32)4-2-1-3-9-26/h6-7,10-11,15H,1-5,8-9,12-13,26H2,(H,27,32)(H,28,29)(H,30,33)
InChIKeyYTCBMUJDFFGDNT-UHFFFAOYSA-N
MW491.42 g/mol
LogP3.40
Rot. Bonds9

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

6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide (PubChem CID 170426846) has the molecular formula C23H28Cl2N6O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide
PubChem CID170426846
Molecular FormulaC23H28Cl2N6O2
Molecular Weight491.42 g/mol
Exact Mass490.17
IUPAC Name6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide
SMILESNCCCCCC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1
InChIInChI=1S/C23H28Cl2N6O2/c24-17-7-6-16-21(14-10-28-29-11-14)18-8-5-15(13-31(18)23(16)22(17)25)30-20(33)12-27-19(32)4-2-1-3-9-26/h6-7,10-11,15H,1-5,8-9,12-13,26H2,(H,27,32)(H,28,29)(H,30,33)
InChIKeyYTCBMUJDFFGDNT-UHFFFAOYSA-N
XLogP3.40
TPSA117.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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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
3-[1-[(3,4-Dichlorophenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
CID 56649532
1-[(3,4-Dichlorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
CID 56934836
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide (CID 170426846) is 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide is NCCCCCC(=O)NCC(=O)NC1CCc2c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c3n2C1.
What is the InChIKey of 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide?
The InChIKey is YTCBMUJDFFGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N6O2/c24-17-7-6-16-21(14-10-28-29-11-14)18-8-5-15(13-31(18)23(16)22(17)25)30-20(33)12-27-19(32)4-2-1-3-9-26/h6-7,10-11,15H,1-5,8-9,12-13,26H2,(H,27,32)(H,28,29)(H,30,33).
What are the key properties of 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide?
6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide has a molecular weight of 491.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 170426846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).