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

C25H28FN5O3 — CID 90461011

IUPAC2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C25H28FN5O3/c1-16-5-6-18(28-23(32)17-7-8-27-22(13-17)25(2,3)26)14-19(16)20-15-21(24(33-4)30-29-20)31-9-11-34-12-10-31/h5-8,13-15H,9-12H2,1-4H3,(H,28,32)
InChIKeyREUREILZLZCFOE-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.15
Rot. Bonds6

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

2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461011) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461011
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C25H28FN5O3/c1-16-5-6-18(28-23(32)17-7-8-27-22(13-17)25(2,3)26)14-19(16)20-15-21(24(33-4)30-29-20)31-9-11-34-12-10-31/h5-8,13-15H,9-12H2,1-4H3,(H,28,32)
InChIKeyREUREILZLZCFOE-UHFFFAOYSA-N
XLogP4.15
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.15
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-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide (CID 90461011) is 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide is COc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is REUREILZLZCFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16-5-6-18(28-23(32)17-7-8-27-22(13-17)25(2,3)26)14-19(16)20-15-21(24(33-4)30-29-20)31-9-11-34-12-10-31/h5-8,13-15H,9-12H2,1-4H3,(H,28,32).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.15, 6 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-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).