1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide

C17H19N7OS — CID 53168050

IUPAC1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1
InChIInChI=1S/C17H19N7OS/c1-22-4-2-3-15(22)16(25)21-13-9-20-24(12-13)17-18-10-14(11-19-17)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3,(H,21,25)
InChIKeyGGIJAEXULCULCW-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide

1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide (PubChem CID 53168050) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
PubChem CID53168050
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1
InChIInChI=1S/C17H19N7OS/c1-22-4-2-3-15(22)16(25)21-13-9-20-24(12-13)17-18-10-14(11-19-17)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3,(H,21,25)
InChIKeyGGIJAEXULCULCW-UHFFFAOYSA-N
XLogP1.81
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide (CID 53168050) is 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1.
What is the InChIKey of 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide?
The InChIKey is GGIJAEXULCULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-22-4-2-3-15(22)16(25)21-13-9-20-24(12-13)17-18-10-14(11-19-17)23-5-7-26-8-6-23/h2-4,9-12H,5-8H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 53168050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).