1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one

C21H24N6O2 — CID 91817893

IUPAC1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1=O
InChIInChI=1S/C21H24N6O2/c1-24-9-4-6-16(20(24)28)21(29)26-13-11-25(12-14-26)19-18-15-5-2-3-7-17(15)23-27(18)10-8-22-19/h4,6,8-10H,2-3,5,7,11-14H2,1H3
InChIKeyFUKFQLUWXXRXJM-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.27
Rot. Bonds2

About 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one

1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 91817893) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID91817893
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1=O
InChIInChI=1S/C21H24N6O2/c1-24-9-4-6-16(20(24)28)21(29)26-13-11-25(12-14-26)19-18-15-5-2-3-7-17(15)23-27(18)10-8-22-19/h4,6,8-10H,2-3,5,7,11-14H2,1H3
InChIKeyFUKFQLUWXXRXJM-UHFFFAOYSA-N
XLogP1.27
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one (CID 91817893) is 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one is Cn1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is FUKFQLUWXXRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-24-9-4-6-16(20(24)28)21(29)26-13-11-25(12-14-26)19-18-15-5-2-3-7-17(15)23-27(18)10-8-22-19/h4,6,8-10H,2-3,5,7,11-14H2,1H3.
What are the key properties of 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one?
1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 392.46 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 91817893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).