4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine

C24H28N6O — CID 178129657

IUPAC4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine
SMILES[2H]Cn1ncc2cc(C3=CC(N)(c4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)NC=C3)ccc21
InChIInChI=1S/C24H28N6O/c1-16-14-30(15-17(2)31-16)23-11-21(7-8-26-23)24(25)12-19(6-9-27-24)18-4-5-22-20(10-18)13-28-29(22)3/h4-13,16-17,27H,14-15,25H2,1-3H3/t16-,17+,24?/i3D
InChIKeyQEYRWOGCUARWHC-OSSNVYEPSA-N
MW417.54 g/mol
LogP2.89
Rot. Bonds4

About 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine

4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine (PubChem CID 178129657) has the molecular formula C24H28N6O and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine
PubChem CID178129657
Molecular FormulaC24H28N6O
Molecular Weight417.54 g/mol
Exact Mass417.24
IUPAC Name4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine
SMILES[2H]Cn1ncc2cc(C3=CC(N)(c4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)NC=C3)ccc21
InChIInChI=1S/C24H28N6O/c1-16-14-30(15-17(2)31-16)23-11-21(7-8-26-23)24(25)12-19(6-9-27-24)18-4-5-22-20(10-18)13-28-29(22)3/h4-13,16-17,27H,14-15,25H2,1-3H3/t16-,17+,24?/i3D
InChIKeyQEYRWOGCUARWHC-OSSNVYEPSA-N
XLogP2.89
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]indazol-5-amine
CID 163361114
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyridin-4-amine
CID 104957780
4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
CID 178129654
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070
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
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
4-(5-amino-4-fluoropyrazol-1-yl)-6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine
CID 171069212
[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanamine
CID 104984134
2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
CID 155287188
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886

Frequently Asked Questions

What is the IUPAC name of 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine?
The IUPAC name of 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine (CID 178129657) is 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine.
What is the SMILES notation for 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine?
The canonical SMILES for 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine is [2H]Cn1ncc2cc(C3=CC(N)(c4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)NC=C3)ccc21.
What is the InChIKey of 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine?
The InChIKey is QEYRWOGCUARWHC-OSSNVYEPSA-N. The full InChI is InChI=1S/C24H28N6O/c1-16-14-30(15-17(2)31-16)23-11-21(7-8-26-23)24(25)12-19(6-9-27-24)18-4-5-22-20(10-18)13-28-29(22)3/h4-13,16-17,27H,14-15,25H2,1-3H3/t16-,17+,24?/i3D.
What are the key properties of 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine?
4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine has a molecular weight of 417.54 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(deuteriomethyl)indazol-5-yl]-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-pyridin-2-amine is sourced from PubChem (CID 178129657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).