2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide

C25H27F2N5O3 — CID 90461502

IUPAC2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H27F2N5O3/c1-15(2)35-25-22(32-8-10-34-11-9-32)14-20(30-31-25)19-13-18(5-4-16(19)3)29-24(33)17-6-7-28-21(12-17)23(26)27/h4-7,12-15,23H,8-11H2,1-3H3,(H,29,33)
InChIKeyUEFAPHOCMPHIDW-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.66
Rot. Bonds7

About 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90461502) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID90461502
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Name2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H27F2N5O3/c1-15(2)35-25-22(32-8-10-34-11-9-32)14-20(30-31-25)19-13-18(5-4-16(19)3)29-24(33)17-6-7-28-21(12-17)23(26)27/h4-7,12-15,23H,8-11H2,1-3H3,(H,29,33)
InChIKeyUEFAPHOCMPHIDW-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide (CID 90461502) is 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.
What is the InChIKey of 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is UEFAPHOCMPHIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O3/c1-15(2)35-25-22(32-8-10-34-11-9-32)14-20(30-31-25)19-13-18(5-4-16(19)3)29-24(33)17-6-7-28-21(12-17)23(26)27/h4-7,12-15,23H,8-11H2,1-3H3,(H,29,33).
What are the key properties of 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).