N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C20H18F2N6O2 — CID 139027767

IUPACN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C20H18F2N6O2/c1-26(20(30)15-7-8-16(29)27(2)25-15)14-9-28(10-14)19-17(22)18(23-11-24-19)12-3-5-13(21)6-4-12/h3-8,11,14H,9-10H2,1-2H3
InChIKeyYSURPFMPVOWVOY-UHFFFAOYSA-N
MW412.40 g/mol
LogP1.48
Rot. Bonds4

About N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 139027767) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID139027767
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC NameN-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1
InChIInChI=1S/C20H18F2N6O2/c1-26(20(30)15-7-8-16(29)27(2)25-15)14-9-28(10-14)19-17(22)18(23-11-24-19)12-3-5-13(21)6-4-12/h3-8,11,14H,9-10H2,1-2H3
InChIKeyYSURPFMPVOWVOY-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 139027767) is N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(C)n1)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1.
What is the InChIKey of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YSURPFMPVOWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-26(20(30)15-7-8-16(29)27(2)25-15)14-9-28(10-14)19-17(22)18(23-11-24-19)12-3-5-13(21)6-4-12/h3-8,11,14H,9-10H2,1-2H3.
What are the key properties of N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-6-(4-fluorophenyl)pyrimidin-4-yl]azetidin-3-yl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139027767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).