(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone

C18H17ClN4O — CID 146093987

IUPAC(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCn2c(cc3c(Cl)cccc32)C1
InChIInChI=1S/C18H17ClN4O/c1-20-17-13(4-3-7-21-17)18(24)22-8-9-23-12(11-22)10-14-15(19)5-2-6-16(14)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyQJYKFZBCSVNSSS-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.39
Rot. Bonds2

About (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone

(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 146093987) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID146093987
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCn2c(cc3c(Cl)cccc32)C1
InChIInChI=1S/C18H17ClN4O/c1-20-17-13(4-3-7-21-17)18(24)22-8-9-23-12(11-22)10-14-15(19)5-2-6-16(14)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyQJYKFZBCSVNSSS-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-(5-methyl-1,3,4-thiadiazol-2-yl)methanone
CID 129479744
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 91795630
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
9-chloro-N-[(5R,7S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
CID 129347179
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
[2-(methylamino)-3-pyridinyl]-[4-(thieno[3,2-b]furan-5-carbonyl)piperazin-1-yl]methanone
CID 167812447
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153

Frequently Asked Questions

What is the IUPAC name of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone (CID 146093987) is (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCn2c(cc3c(Cl)cccc32)C1.
What is the InChIKey of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is QJYKFZBCSVNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-20-17-13(4-3-7-21-17)18(24)22-8-9-23-12(11-22)10-14-15(19)5-2-6-16(14)23/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone?
(9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 340.81 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 146093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).