2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine

C23H24FN7O — CID 178129679

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine
SMILESC[C@@H]1CN(c2cc(Nc3cc(-c4ccc5c(cnn5C)n4)ccn3)c(F)cn2)C[C@H](C)O1
InChIInChI=1S/C23H24FN7O/c1-14-12-31(13-15(2)32-14)23-9-19(17(24)10-26-23)29-22-8-16(6-7-25-22)18-4-5-21-20(28-18)11-27-30(21)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,29)/t14-,15+
InChIKeyKJWSYVWFVDQEOE-GASCZTMLSA-N
MW433.49 g/mol
LogP3.92
Rot. Bonds4

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine (PubChem CID 178129679) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine
PubChem CID178129679
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine
SMILESC[C@@H]1CN(c2cc(Nc3cc(-c4ccc5c(cnn5C)n4)ccn3)c(F)cn2)C[C@H](C)O1
InChIInChI=1S/C23H24FN7O/c1-14-12-31(13-15(2)32-14)23-9-19(17(24)10-26-23)29-22-8-16(6-7-25-22)18-4-5-21-20(28-18)11-27-30(21)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,29)/t14-,15+
InChIKeyKJWSYVWFVDQEOE-GASCZTMLSA-N
XLogP3.92
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine with MolForge

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Related Compounds

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyridin-2-amine
CID 178129694
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-4-pyridinyl]-5-(4-ethoxyphenyl)pyridazin-3-amine
CID 169200751
N-[4-(difluoromethoxy)-2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-5-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146498172
4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
CID 178129654
N-[4-[2-(difluoromethyl)indazol-5-yl]-2-pyridinyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 178129764
N-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 146498298
5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
CID 178129721
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(5-methoxypyrazin-2-yl)-3-pyridinyl]pyrimidin-4-amine
CID 169200316
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-fluoro-5-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]pyrimidin-4-amine
CID 169200639
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
CID 163361114
4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
CID 171069212
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine (CID 178129679) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine is C[C@@H]1CN(c2cc(Nc3cc(-c4ccc5c(cnn5C)n4)ccn3)c(F)cn2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine?
The InChIKey is KJWSYVWFVDQEOE-GASCZTMLSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-14-12-31(13-15(2)32-14)23-9-19(17(24)10-26-23)29-22-8-16(6-7-25-22)18-4-5-21-20(28-18)11-27-30(21)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,29)/t14-,15+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine has a molecular weight of 433.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoro-N-[4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)-2-pyridinyl]pyridin-4-amine is sourced from PubChem (CID 178129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).