6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile

C22H21FN6O2 — CID 10223883

IUPAC6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCOCC2CNc2ccc(C#N)cn2)n1
InChIInChI=1S/C22H21FN6O2/c1-28-13-19(16-3-5-17(23)6-4-16)21(27-28)22(30)29-8-9-31-14-18(29)12-26-20-7-2-15(10-24)11-25-20/h2-7,11,13,18H,8-9,12,14H2,1H3,(H,25,26)
InChIKeyVASXDIYIVIXIPG-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.45
Rot. Bonds5

About 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 10223883) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID10223883
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(F)cc2)c(C(=O)N2CCOCC2CNc2ccc(C#N)cn2)n1
InChIInChI=1S/C22H21FN6O2/c1-28-13-19(16-3-5-17(23)6-4-16)21(27-28)22(30)29-8-9-31-14-18(29)12-26-20-7-2-15(10-24)11-25-20/h2-7,11,13,18H,8-9,12,14H2,1H3,(H,25,26)
InChIKeyVASXDIYIVIXIPG-UHFFFAOYSA-N
XLogP2.45
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile (CID 10223883) is 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile is Cn1cc(-c2ccc(F)cc2)c(C(=O)N2CCOCC2CNc2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is VASXDIYIVIXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-28-13-19(16-3-5-17(23)6-4-16)21(27-28)22(30)29-8-9-31-14-18(29)12-26-20-7-2-15(10-24)11-25-20/h2-7,11,13,18H,8-9,12,14H2,1H3,(H,25,26).
What are the key properties of 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 420.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]morpholin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 10223883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).