N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine

C23H26FN5O2 — CID 169200751

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
SMILESCCOc1ccc(-c2cnnc(Nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3F)c2)cc1
InChIInChI=1S/C23H26FN5O2/c1-4-30-19-7-5-17(6-8-19)18-9-22(28-26-11-18)27-21-10-23(25-12-20(21)24)29-13-15(2)31-16(3)14-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,27,28)/t15-,16+
InChIKeyCNDXKTLAPUZGMN-IYBDPMFKSA-N
MW423.49 g/mol
LogP4.43
Rot. Bonds6

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine (PubChem CID 169200751) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
PubChem CID169200751
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
SMILESCCOc1ccc(-c2cnnc(Nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3F)c2)cc1
InChIInChI=1S/C23H26FN5O2/c1-4-30-19-7-5-17(6-8-19)18-9-22(28-26-11-18)27-21-10-23(25-12-20(21)24)29-13-15(2)31-16(3)14-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,27,28)/t15-,16+
InChIKeyCNDXKTLAPUZGMN-IYBDPMFKSA-N
XLogP4.43
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine (CID 169200751) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine is CCOc1ccc(-c2cnnc(Nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3F)c2)cc1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine?
The InChIKey is CNDXKTLAPUZGMN-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-4-30-19-7-5-17(6-8-19)18-9-22(28-26-11-18)27-21-10-23(25-12-20(21)24)29-13-15(2)31-16(3)14-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,27,28)/t15-,16+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine has a molecular weight of 423.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 169200751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).