1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

C18H22N6OS — CID 172903005

IUPAC1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1csc2c(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)ncnc12
InChIInChI=1S/C18H22N6OS/c1-11-9-26-16-15(11)19-10-20-17(16)24-6-4-5-13(8-24)21-18(25)14-7-12(2)23(3)22-14/h7,9-10,13H,4-6,8H2,1-3H3,(H,21,25)
InChIKeyXGYZQVWWHVETIQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.44
Rot. Bonds3

About 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172903005) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172903005
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1csc2c(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)ncnc12
InChIInChI=1S/C18H22N6OS/c1-11-9-26-16-15(11)19-10-20-17(16)24-6-4-5-13(8-24)21-18(25)14-7-12(2)23(3)22-14/h7,9-10,13H,4-6,8H2,1-3H3,(H,21,25)
InChIKeyXGYZQVWWHVETIQ-UHFFFAOYSA-N
XLogP2.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 175650497
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
N-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172902803
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900070
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 172903005) is 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is Cc1csc2c(N3CCCC(NC(=O)c4cc(C)n(C)n4)C3)ncnc12.
What is the InChIKey of 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is XGYZQVWWHVETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-11-9-26-16-15(11)19-10-20-17(16)24-6-4-5-13(8-24)21-18(25)14-7-12(2)23(3)22-14/h7,9-10,13H,4-6,8H2,1-3H3,(H,21,25).
What are the key properties of 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172903005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).