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

C16H17N7OS — CID 133487212

IUPAC6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1cc2c(N3CCN(c4ccc(C(N)=O)nn4)CC3)ncnc2s1
InChIInChI=1S/C16H17N7OS/c1-10-8-11-15(18-9-19-16(11)25-10)23-6-4-22(5-7-23)13-3-2-12(14(17)24)20-21-13/h2-3,8-9H,4-7H2,1H3,(H2,17,24)
InChIKeyOPYPMKGOHTWSGN-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.22
Rot. Bonds3

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

6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 133487212) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID133487212
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCc1cc2c(N3CCN(c4ccc(C(N)=O)nn4)CC3)ncnc2s1
InChIInChI=1S/C16H17N7OS/c1-10-8-11-15(18-9-19-16(11)25-10)23-6-4-22(5-7-23)13-3-2-12(14(17)24)20-21-13/h2-3,8-9H,4-7H2,1H3,(H2,17,24)
InChIKeyOPYPMKGOHTWSGN-UHFFFAOYSA-N
XLogP1.22
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133487033
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133487127
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133487281
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
(2-methylphenyl)-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 39072836
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
phenyl 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062807
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide (CID 133487212) is 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide is Cc1cc2c(N3CCN(c4ccc(C(N)=O)nn4)CC3)ncnc2s1.
What is the InChIKey of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is OPYPMKGOHTWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-10-8-11-15(18-9-19-16(11)25-10)23-6-4-22(5-7-23)13-3-2-12(14(17)24)20-21-13/h2-3,8-9H,4-7H2,1H3,(H2,17,24).
What are the key properties of 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide?
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133487212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).