2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide

C25H27F2N5O3 — CID 90460468

IUPAC2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OC)nn3)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(34-3)31-30-20)32-9-11-35-12-10-32/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33)
InChIKeyUSDMDPVBQZBXEU-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.45
Rot. Bonds7

About 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide

2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90460468) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90460468
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Name2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OC)nn3)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(34-3)31-30-20)32-9-11-35-12-10-32/h5-8,13-15H,4,9-12H2,1-3H3,(H,29,33)
InChIKeyUSDMDPVBQZBXEU-UHFFFAOYSA-N
XLogP4.45
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.45
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-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide (CID 90460468) is 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OC)nn3)c2)ccn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is USDMDPVBQZBXEU-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(34-3)31-30-20)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-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
2-(1,1-difluoropropyl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 4.45, 7 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-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90460468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).