2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide

C25H28F2N6O3 — CID 90456508

IUPAC2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H28F2N6O3/c1-15(2)36-24-21(33-7-9-35-10-8-33)13-20(31-32-24)19-12-18(14-29-16(19)3)30-23(34)17-5-6-28-22(11-17)25(4,26)27/h5-6,11-15H,7-10H2,1-4H3,(H,30,34)
InChIKeyIRVDZOGUBWGPAR-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.23
Rot. Bonds7

About 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90456508) has the molecular formula C25H28F2N6O3 and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90456508
Molecular FormulaC25H28F2N6O3
Molecular Weight498.53 g/mol
Exact Mass498.22
IUPAC Name2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C25H28F2N6O3/c1-15(2)36-24-21(33-7-9-35-10-8-33)13-20(31-32-24)19-12-18(14-29-16(19)3)30-23(34)17-5-6-28-22(11-17)25(4,26)27/h5-6,11-15H,7-10H2,1-4H3,(H,30,34)
InChIKeyIRVDZOGUBWGPAR-UHFFFAOYSA-N
XLogP4.23
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90456508) is 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is IRVDZOGUBWGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O3/c1-15(2)36-24-21(33-7-9-35-10-8-33)13-20(31-32-24)19-12-18(14-29-16(19)3)30-23(34)17-5-6-28-22(11-17)25(4,26)27/h5-6,11-15H,7-10H2,1-4H3,(H,30,34).
What are the key properties of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).