5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide

C18H21N7OS — CID 136547764

IUPAC5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
SMILESCc1nnc(N2CCN(c3ncnc4scc(C)c34)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H21N7OS/c1-10-8-27-18-13(10)16(20-9-21-18)24-4-6-25(7-5-24)17-14(15(19)26)11(2)12(3)22-23-17/h8-9H,4-7H2,1-3H3,(H2,19,26)
InChIKeyUHPZNSBYKYUUKA-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.83
Rot. Bonds3

About 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide

5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide (PubChem CID 136547764) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
PubChem CID136547764
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
SMILESCc1nnc(N2CCN(c3ncnc4scc(C)c34)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H21N7OS/c1-10-8-27-18-13(10)16(20-9-21-18)24-4-6-25(7-5-24)17-14(15(19)26)11(2)12(3)22-23-17/h8-9H,4-7H2,1-3H3,(H2,19,26)
InChIKeyUHPZNSBYKYUUKA-UHFFFAOYSA-N
XLogP1.83
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide (CID 136547764) is 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide is Cc1nnc(N2CCN(c3ncnc4scc(C)c34)CC2)c(C(N)=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
The InChIKey is UHPZNSBYKYUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c1-10-8-27-18-13(10)16(20-9-21-18)24-4-6-25(7-5-24)17-14(15(19)26)11(2)12(3)22-23-17/h8-9H,4-7H2,1-3H3,(H2,19,26).
What are the key properties of 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide?
5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 136547764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).