N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide

C18H19N7O3S — CID 118061537

IUPACN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3ccncn3)c2)c(N2CCN(CCO)C2=O)n1
InChIInChI=1S/C18H19N7O3S/c1-23-9-14(16(22-23)25-5-4-24(6-7-26)18(25)28)21-17(27)12-8-15(29-10-12)13-2-3-19-11-20-13/h2-3,8-11,26H,4-7H2,1H3,(H,21,27)
InChIKeyLZHQYMMYUAADIJ-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.43
Rot. Bonds6

About N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide

N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide (PubChem CID 118061537) has the molecular formula C18H19N7O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide
PubChem CID118061537
Molecular FormulaC18H19N7O3S
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC NameN-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3ccncn3)c2)c(N2CCN(CCO)C2=O)n1
InChIInChI=1S/C18H19N7O3S/c1-23-9-14(16(22-23)25-5-4-24(6-7-26)18(25)28)21-17(27)12-8-15(29-10-12)13-2-3-19-11-20-13/h2-3,8-11,26H,4-7H2,1H3,(H,21,27)
InChIKeyLZHQYMMYUAADIJ-UHFFFAOYSA-N
XLogP1.43
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide?
The IUPAC name of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide (CID 118061537) is N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide?
The canonical SMILES for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide is Cn1cc(NC(=O)c2csc(-c3ccncn3)c2)c(N2CCN(CCO)C2=O)n1.
What is the InChIKey of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide?
The InChIKey is LZHQYMMYUAADIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S/c1-23-9-14(16(22-23)25-5-4-24(6-7-26)18(25)28)21-17(27)12-8-15(29-10-12)13-2-3-19-11-20-13/h2-3,8-11,26H,4-7H2,1H3,(H,21,27).
What are the key properties of N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide?
N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-5-pyrimidin-4-ylthiophene-3-carboxamide is sourced from PubChem (CID 118061537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).