4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide

C19H17F2N7O — CID 25227472

IUPAC4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
InChIKeyJQERCZLQLVZUAJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.57
Rot. Bonds3

About 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide

4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 25227472) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID25227472
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
InChIKeyJQERCZLQLVZUAJ-UHFFFAOYSA-N
XLogP2.57
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide (CID 25227472) is 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)cc3F)n2)CC1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is JQERCZLQLVZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29).
What are the key properties of 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide?
4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 25227472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).