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

C24H26N6O — CID 178129654

IUPAC4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
SMILES[2H]Cn1cc2cc(-c3ccnc(Nc4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)c3)ccc2n1
InChIInChI=1S/C24H26N6O/c1-16-13-30(14-17(2)31-16)24-12-21(7-9-26-24)27-23-11-19(6-8-25-23)18-4-5-22-20(10-18)15-29(3)28-22/h4-12,15-17H,13-14H2,1-3H3,(H,25,26,27)/t16-,17+/i3D
InChIKeyKOCGECLEJFGFTQ-MTYJXSDASA-N
MW415.52 g/mol
LogP4.39
Rot. Bonds5

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

4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine (PubChem CID 178129654) has the molecular formula C24H26N6O and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
PubChem CID178129654
Molecular FormulaC24H26N6O
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Name4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine
SMILES[2H]Cn1cc2cc(-c3ccnc(Nc4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)c3)ccc2n1
InChIInChI=1S/C24H26N6O/c1-16-13-30(14-17(2)31-16)24-12-21(7-9-26-24)27-23-11-19(6-8-25-23)18-4-5-22-20(10-18)15-29(3)28-22/h4-12,15-17H,13-14H2,1-3H3,(H,25,26,27)/t16-,17+/i3D
InChIKeyKOCGECLEJFGFTQ-MTYJXSDASA-N
XLogP4.39
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(difluoromethyl)indazol-5-yl]-2-pyridinyl]-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 178129764
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 67695006
5-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]-4-pyridinyl]-N,N,1-trimethylindazol-3-amine
CID 178129721
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyridin-2-amine
CID 178129694
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
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
CID 77492295
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(2-methylpyrazolo[4,3-b]pyridin-5-yl)aniline
CID 178129755
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886
4-(6-anilinopyrimidin-4-yl)-6-methylmorpholine-2-carboxamide
CID 146107934
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575

Frequently Asked Questions

What is the IUPAC name of 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine (CID 178129654) is 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine is [2H]Cn1cc2cc(-c3ccnc(Nc4ccnc(N5C[C@@H](C)O[C@@H](C)C5)c4)c3)ccc2n1.
What is the InChIKey of 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine?
The InChIKey is KOCGECLEJFGFTQ-MTYJXSDASA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-13-30(14-17(2)31-16)24-12-21(7-9-26-24)27-23-11-19(6-8-25-23)18-4-5-22-20(10-18)15-29(3)28-22/h4-12,15-17H,13-14H2,1-3H3,(H,25,26,27)/t16-,17+/i3D.
What are the key properties of 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine?
4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine has a molecular weight of 415.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(deuteriomethyl)indazol-5-yl]-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 178129654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).