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

C22H25N5O2 — CID 91890475

IUPAC(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-29-17-6-4-5-16(15-17)22(28)26-13-11-25(12-14-26)21-20-18-7-2-3-8-19(18)24-27(20)10-9-23-21/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3
InChIKeyMLDPVYBVOVKFIH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.58
Rot. Bonds3

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

(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (PubChem CID 91890475) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
PubChem CID91890475
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-29-17-6-4-5-16(15-17)22(28)26-13-11-25(12-14-26)21-20-18-7-2-3-8-19(18)24-27(20)10-9-23-21/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3
InChIKeyMLDPVYBVOVKFIH-UHFFFAOYSA-N
XLogP2.58
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (CID 91890475) is (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The InChIKey is MLDPVYBVOVKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-17-6-4-5-16(15-17)22(28)26-13-11-25(12-14-26)21-20-18-7-2-3-8-19(18)24-27(20)10-9-23-21/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91890475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).