(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone

C21H24N6O2 — CID 91890462

IUPAC(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cn1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-6-15(14-23-18)21(28)26-12-10-25(11-13-26)20-19-16-4-2-3-5-17(16)24-27(19)9-8-22-20/h6-9,14H,2-5,10-13H2,1H3
InChIKeyWQBQGHOLROTALZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.97
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone

(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (PubChem CID 91890462) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
PubChem CID91890462
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cn1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-6-15(14-23-18)21(28)26-12-10-25(11-13-26)20-19-16-4-2-3-5-17(16)24-27(19)9-8-22-20/h6-9,14H,2-5,10-13H2,1H3
InChIKeyWQBQGHOLROTALZ-UHFFFAOYSA-N
XLogP1.97
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91890475
(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91817899
1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
CID 91817893
(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91631786
3-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91817904
(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890367
(E)-3-(5-methylfuran-2-yl)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]prop-2-en-1-one
CID 91890483
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342965
(6-methoxy-3-pyridinyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343113
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (CID 91890462) is (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The InChIKey is WQBQGHOLROTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-18-7-6-15(14-23-18)21(28)26-12-10-25(11-13-26)20-19-16-4-2-3-5-17(16)24-27(19)9-8-22-20/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91890462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).