[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

C25H23F4N7O2 — CID 155519472

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(C(F)(F)F)c5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C25H23F4N7O2/c1-13-11-36(12-14(2)38-13)23(37)15-5-6-30-21(7-15)35-24-33-19-9-22(31-10-20(19)34-24)32-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,31,32)(H2,30,33,34,35)/t13-,14+
InChIKeyUFCHHTIBFRSPBY-OKILXGFUSA-N
MW529.50 g/mol
LogP5.25
Rot. Bonds5

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (PubChem CID 155519472) has the molecular formula C25H23F4N7O2 and a molecular weight of 529.50 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
PubChem CID155519472
Molecular FormulaC25H23F4N7O2
Molecular Weight529.50 g/mol
Exact Mass529.18
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(C(F)(F)F)c5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C25H23F4N7O2/c1-13-11-36(12-14(2)38-13)23(37)15-5-6-30-21(7-15)35-24-33-19-9-22(31-10-20(19)34-24)32-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,31,32)(H2,30,33,34,35)/t13-,14+
InChIKeyUFCHHTIBFRSPBY-OKILXGFUSA-N
XLogP5.25
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.50
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (CID 155519472) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is C[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(C(F)(F)F)c5)ncc4[nH]3)c2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The InChIKey is UFCHHTIBFRSPBY-OKILXGFUSA-N. The full InChI is InChI=1S/C25H23F4N7O2/c1-13-11-36(12-14(2)38-13)23(37)15-5-6-30-21(7-15)35-24-33-19-9-22(31-10-20(19)34-24)32-16-3-4-18(26)17(8-16)25(27,28)29/h3-10,13-14H,11-12H2,1-2H3,(H,31,32)(H2,30,33,34,35)/t13-,14+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone has a molecular weight of 529.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[4-fluoro-3-(trifluoromethyl)anilino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is sourced from PubChem (CID 155519472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).