N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine

C23H24F4N4O3 — CID 170958426

IUPACN-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine
SMILESCOc1cc(N[C@H]2c3ccc(F)cc3OC[C@@H]2N2CCO[C@H](C)C2)c2cn(C(F)(F)F)nc2c1
InChIInChI=1S/C23H24F4N4O3/c1-13-10-30(5-6-33-13)20-12-34-21-7-14(24)3-4-16(21)22(20)28-18-8-15(32-2)9-19-17(18)11-31(29-19)23(25,26)27/h3-4,7-9,11,13,20,22,28H,5-6,10,12H2,1-2H3/t13-,20+,22+/m1/s1
InChIKeyDJUHKNFLHIGYBN-XOJPMGEXSA-N
MW480.46 g/mol
LogP4.30
Rot. Bonds4

About N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine

N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine (PubChem CID 170958426) has the molecular formula C23H24F4N4O3 and a molecular weight of 480.46 g/mol. Its IUPAC name is N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine
PubChem CID170958426
Molecular FormulaC23H24F4N4O3
Molecular Weight480.46 g/mol
Exact Mass480.18
IUPAC NameN-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine
SMILESCOc1cc(N[C@H]2c3ccc(F)cc3OC[C@@H]2N2CCO[C@H](C)C2)c2cn(C(F)(F)F)nc2c1
InChIInChI=1S/C23H24F4N4O3/c1-13-10-30(5-6-33-13)20-12-34-21-7-14(24)3-4-16(21)22(20)28-18-8-15(32-2)9-19-17(18)11-31(29-19)23(25,26)27/h3-4,7-9,11,13,20,22,28H,5-6,10,12H2,1-2H3/t13-,20+,22+/m1/s1
InChIKeyDJUHKNFLHIGYBN-XOJPMGEXSA-N
XLogP4.30
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine with MolForge

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Related Compounds

6-fluoro-N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170958627
N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-benzimidazol-4-amine
CID 170958644
N-[3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine
CID 170958746
N-[(3R,4S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)indazol-4-amine
CID 170958599
2-cyclopropyl-N-[(3R,4S)-3-[(2R)-2-methylmorpholin-4-yl]-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170958564
6-fluoro-N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-benzimidazol-4-amine
CID 170958872
N-[(3R,4S)-7-fluoro-3-[(3R)-3-methoxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 170958667
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 167482434
N-[(3R,4S)-3-(azetidin-1-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-(trifluoromethyl)-1H-indol-4-amine
CID 170958670
N-[5-fluoro-3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482505
N-[3-(2-methylmorpholin-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(oxetan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482577
2-cyclopropyl-N-(7-fluoro-3-morpholin-4-yl-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-4-amine;ethane
CID 170958856

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine?
The IUPAC name of N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine (CID 170958426) is N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine.
What is the SMILES notation for N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine?
The canonical SMILES for N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine is COc1cc(N[C@H]2c3ccc(F)cc3OC[C@@H]2N2CCO[C@H](C)C2)c2cn(C(F)(F)F)nc2c1.
What is the InChIKey of N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine?
The InChIKey is DJUHKNFLHIGYBN-XOJPMGEXSA-N. The full InChI is InChI=1S/C23H24F4N4O3/c1-13-10-30(5-6-33-13)20-12-34-21-7-14(24)3-4-16(21)22(20)28-18-8-15(32-2)9-19-17(18)11-31(29-19)23(25,26)27/h3-4,7-9,11,13,20,22,28H,5-6,10,12H2,1-2H3/t13-,20+,22+/m1/s1.
What are the key properties of N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine?
N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine has a molecular weight of 480.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-7-fluoro-3-[(2R)-2-methylmorpholin-4-yl]-3,4-dihydro-2H-chromen-4-yl]-6-methoxy-2-(trifluoromethyl)indazol-4-amine is sourced from PubChem (CID 170958426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).