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

C22H23F2N5O2 — CID 169200451

IUPACN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cnnc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3F)c2)c(F)c1
InChIInChI=1S/C22H23F2N5O2/c1-13-11-29(12-14(2)31-13)21-7-6-18(23)22(27-21)26-20-8-15(10-25-28-20)17-5-4-16(30-3)9-19(17)24/h4-10,13-14H,11-12H2,1-3H3,(H,26,27,28)/t13-,14+
InChIKeyHKITVIOTHGFOHT-OKILXGFUSA-N
MW427.46 g/mol
LogP4.18
Rot. Bonds5

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

N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine (PubChem CID 169200451) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine
PubChem CID169200451
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC NameN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2cnnc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3F)c2)c(F)c1
InChIInChI=1S/C22H23F2N5O2/c1-13-11-29(12-14(2)31-13)21-7-6-18(23)22(27-21)26-20-8-15(10-25-28-20)17-5-4-16(30-3)9-19(17)24/h4-10,13-14H,11-12H2,1-3H3,(H,26,27,28)/t13-,14+
InChIKeyHKITVIOTHGFOHT-OKILXGFUSA-N
XLogP4.18
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine (CID 169200451) is N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine is COc1ccc(-c2cnnc(Nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3F)c2)c(F)c1.
What is the InChIKey of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine?
The InChIKey is HKITVIOTHGFOHT-OKILXGFUSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-13-11-29(12-14(2)31-13)21-7-6-18(23)22(27-21)26-20-8-15(10-25-28-20)17-5-4-16(30-3)9-19(17)24/h4-10,13-14H,11-12H2,1-3H3,(H,26,27,28)/t13-,14+.
What are the key properties of N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine?
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine has a molecular weight of 427.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoro-2-pyridinyl]-5-(2-fluoro-4-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 169200451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).