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

C20H25N7O2 — CID 91817899

IUPAC(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1
InChIInChI=1S/C20H25N7O2/c1-24-13-15(19(23-24)29-2)20(28)26-11-9-25(10-12-26)18-17-14-5-3-4-6-16(14)22-27(17)8-7-21-18/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyCRLKCNZRIOWTSE-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.31
Rot. Bonds3

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

(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (PubChem CID 91817899) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
PubChem CID91817899
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1nn(C)cc1C(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1
InChIInChI=1S/C20H25N7O2/c1-24-13-15(19(23-24)29-2)20(28)26-11-9-25(10-12-26)18-17-14-5-3-4-6-16(14)22-27(17)8-7-21-18/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyCRLKCNZRIOWTSE-UHFFFAOYSA-N
XLogP1.31
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methoxy-1-methylpyrazol-4-yl)-[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
(6-methoxy-3-pyridinyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91890462
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-(2-methylphenyl)piperazin-1-yl]-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890368
(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
(4-pyridin-2-ylpiperazin-1-yl)-[1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidin-4-yl]methanone
CID 91890367
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (CID 91817899) is (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is COc1nn(C)cc1C(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1.
What is the InChIKey of (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The InChIKey is CRLKCNZRIOWTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-24-13-15(19(23-24)29-2)20(28)26-11-9-25(10-12-26)18-17-14-5-3-4-6-16(14)22-27(17)8-7-21-18/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone has a molecular weight of 395.47 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91817899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).