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

C20H23N5OS — CID 91631786

IUPAC(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1
InChIInChI=1S/C20H23N5OS/c1-14-12-17(27-13-14)20(26)24-10-8-23(9-11-24)19-18-15-4-2-3-5-16(15)22-25(18)7-6-21-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyPZHWIXOQASLFRN-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.94
Rot. Bonds2

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

(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (PubChem CID 91631786) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
PubChem CID91631786
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1
InChIInChI=1S/C20H23N5OS/c1-14-12-17(27-13-14)20(26)24-10-8-23(9-11-24)19-18-15-4-2-3-5-16(15)22-25(18)7-6-21-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyPZHWIXOQASLFRN-UHFFFAOYSA-N
XLogP2.94
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-chloro-5-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91817904
(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
(3-methoxy-1-methylpyrazol-4-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone
CID 91817899
(E)-1-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 91817895
[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
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332
(3R)-N-(cyclopropylmethyl)-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127085

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone (CID 91631786) is (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is Cc1csc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
The InChIKey is PZHWIXOQASLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-12-17(27-13-14)20(26)24-10-8-23(9-11-24)19-18-15-4-2-3-5-16(15)22-25(18)7-6-21-19/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone?
(4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone has a molecular weight of 381.51 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[4-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).