2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide

C25H27F2N5O3 — CID 90460980

IUPAC2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1
InChIInChI=1S/C25H27F2N5O3/c1-4-25(26,27)22-13-17(7-8-28-22)23(33)29-18-6-5-16(2)19(14-18)20-15-21(24(34)31(3)30-20)32-9-11-35-12-10-32/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33)
InChIKeyAXYWWZQSJHAPEU-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.74
Rot. Bonds6

About 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide

2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90460980) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID90460980
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Name2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1
InChIInChI=1S/C25H27F2N5O3/c1-4-25(26,27)22-13-17(7-8-28-22)23(33)29-18-6-5-16(2)19(14-18)20-15-21(24(34)31(3)30-20)32-9-11-35-12-10-32/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33)
InChIKeyAXYWWZQSJHAPEU-UHFFFAOYSA-N
XLogP3.74
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide (CID 90460980) is 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2)ccn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is AXYWWZQSJHAPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-4-25(26,27)22-13-17(7-8-28-22)23(33)29-18-6-5-16(2)19(14-18)20-15-21(24(34)31(3)30-20)32-9-11-35-12-10-32/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33).
What are the key properties of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide?
2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90460980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).