2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

C16H15Cl2N5O — CID 170426625

IUPAC2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESNCCN1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C16H15Cl2N5O/c17-11-2-1-10-12(9-7-20-21-8-9)15-16(24)22(4-3-19)5-6-23(15)14(10)13(11)18/h1-2,7-8H,3-6,19H2,(H,20,21)
InChIKeyXLSFPADLBVESBZ-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 170426625) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID170426625
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESNCCN1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C16H15Cl2N5O/c17-11-2-1-10-12(9-7-20-21-8-9)15-16(24)22(4-3-19)5-6-23(15)14(10)13(11)18/h1-2,7-8H,3-6,19H2,(H,20,21)
InChIKeyXLSFPADLBVESBZ-UHFFFAOYSA-N
XLogP2.75
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466
4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-indol-2-yl)methanone
CID 44426950
3,5-dichloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(3,4-dichlorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide
CID 127052885
5-chloro-3-[4-(1H-pyrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 162649972
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
US10618897, Example 31
CID 130301913
US10618897, Example 34
CID 130301962

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 170426625) is 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is NCCN1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is XLSFPADLBVESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c17-11-2-1-10-12(9-7-20-21-8-9)15-16(24)22(4-3-19)5-6-23(15)14(10)13(11)18/h1-2,7-8H,3-6,19H2,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 364.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 170426625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).