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

C27H32FN5O3 — CID 90461311

IUPAC2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C27H32FN5O3/c1-17(2)36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)3)30-25(34)19-8-9-29-24(14-19)27(4,5)28/h6-9,14-17H,10-13H2,1-5H3,(H,30,34)
InChIKeyGNNHCLHJDZIHMO-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.93
Rot. Bonds7

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

2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90461311) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID90461311
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1
InChIInChI=1S/C27H32FN5O3/c1-17(2)36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)3)30-25(34)19-8-9-29-24(14-19)27(4,5)28/h6-9,14-17H,10-13H2,1-5H3,(H,30,34)
InChIKeyGNNHCLHJDZIHMO-UHFFFAOYSA-N
XLogP4.93
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide (CID 90461311) is 2-(2-fluoropropan-2-yl)-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-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)c(OC(C)C)nn1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is GNNHCLHJDZIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-17(2)36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)3)30-25(34)19-8-9-29-24(14-19)27(4,5)28/h6-9,14-17H,10-13H2,1-5H3,(H,30,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).