7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde

C17H18Cl2N4O2 — CID 170609984

IUPAC7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
SMILESCNC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.O=CCO
InChIInChI=1S/C15H14Cl2N4.C2H4O2/c1-18-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-19-20-7-8;3-1-2-4/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20);1,4H,2H2
InChIKeyDVARDQRYIRNOKU-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.18
Rot. Bonds3

About 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde

7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde (PubChem CID 170609984) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde.

Molecular Properties

Compound Name7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
PubChem CID170609984
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
SMILESCNC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.O=CCO
InChIInChI=1S/C15H14Cl2N4.C2H4O2/c1-18-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-19-20-7-8;3-1-2-4/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20);1,4H,2H2
InChIKeyDVARDQRYIRNOKU-UHFFFAOYSA-N
XLogP3.18
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde 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

6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 170610050
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 170427165
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
CID 170427719
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1-ethylpyrrolidin-2-one
CID 170427318
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
CID 170426868
N-[4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutyl]-N-(2-hydroxyethyl)acetamide
CID 170609884
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
CID 170427444
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 170427031

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde?
The IUPAC name of 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde (CID 170609984) is 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde.
What is the SMILES notation for 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde?
The canonical SMILES for 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde is CNC1CCn2c1c(-c1cn[nH]c1)c1ccc(Cl)c(Cl)c12.O=CCO.
What is the InChIKey of 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde?
The InChIKey is DVARDQRYIRNOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4.C2H4O2/c1-18-11-4-5-21-14-9(2-3-10(16)13(14)17)12(15(11)21)8-6-19-20-7-8;3-1-2-4/h2-3,6-7,11,18H,4-5H2,1H3,(H,19,20);1,4H,2H2.
What are the key properties of 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde?
7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde has a molecular weight of 381.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde is sourced from PubChem (CID 170609984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).