1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one

C20H19Cl2N7O — CID 170427441

IUPAC1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCn1ncnc1CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H19Cl2N7O/c1-27-16(23-11-26-27)4-5-17(30)28-6-7-29-15(10-28)18(12-8-24-25-9-12)13-2-3-14(21)19(22)20(13)29/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,25)
InChIKeyDNKAZHKNDKCOIC-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.44
Rot. Bonds4

About 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one

1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one (PubChem CID 170427441) has the molecular formula C20H19Cl2N7O and a molecular weight of 444.33 g/mol. Its IUPAC name is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
PubChem CID170427441
Molecular FormulaC20H19Cl2N7O
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
SMILESCn1ncnc1CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H19Cl2N7O/c1-27-16(23-11-26-27)4-5-17(30)28-6-7-29-15(10-28)18(12-8-24-25-9-12)13-2-3-14(21)19(22)20(13)29/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,25)
InChIKeyDNKAZHKNDKCOIC-UHFFFAOYSA-N
XLogP3.44
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
CID 16114010
US20230391786, Example 325
CID 170795270
US20230391786, Example 20
CID 170426488
US20230391786, Example 12
CID 170426549
US20230391786, Example 328
CID 170426577
US20230391786, Example 311
CID 170426708
US20230391786, Example 297
CID 170426718
US20230391786, Example 8
CID 170426767
US20230391786, Example 196
CID 170426846
US20230391786, Example 155
CID 170426879
US20230391786, Example 182
CID 170426891
US20230391786, Example 134
CID 170426932

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The IUPAC name of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one (CID 170427441) is 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The canonical SMILES for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one is Cn1ncnc1CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
The InChIKey is DNKAZHKNDKCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O/c1-27-16(23-11-26-27)4-5-17(30)28-6-7-29-15(10-28)18(12-8-24-25-9-12)13-2-3-14(21)19(22)20(13)29/h2-3,8-9,11H,4-7,10H2,1H3,(H,24,25).
What are the key properties of 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one?
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one has a molecular weight of 444.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one is sourced from PubChem (CID 170427441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).