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

C24H23F3N8O2 — CID 155543829

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(C(F)(F)F)nc5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C24H23F3N8O2/c1-13-11-35(12-14(2)37-13)22(36)15-5-6-28-20(7-15)34-23-32-17-8-21(30-10-18(17)33-23)31-16-3-4-19(29-9-16)24(25,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,30,31)(H2,28,32,33,34)/t13-,14+
InChIKeyJHHBWXSMNHEDGF-OKILXGFUSA-N
MW512.50 g/mol
LogP4.50
Rot. Bonds5

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (PubChem CID 155543829) has the molecular formula C24H23F3N8O2 and a molecular weight of 512.50 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-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-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
PubChem CID155543829
Molecular FormulaC24H23F3N8O2
Molecular Weight512.50 g/mol
Exact Mass512.19
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(C(F)(F)F)nc5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C24H23F3N8O2/c1-13-11-35(12-14(2)37-13)22(36)15-5-6-28-20(7-15)34-23-32-17-8-21(30-10-18(17)33-23)31-16-3-4-19(29-9-16)24(25,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,30,31)(H2,28,32,33,34)/t13-,14+
InChIKeyJHHBWXSMNHEDGF-OKILXGFUSA-N
XLogP4.50
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-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-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (CID 155543829) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-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-[[6-(trifluoromethyl)-3-pyridinyl]amino]-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-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is C[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(C(F)(F)F)nc5)ncc4[nH]3)c2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The InChIKey is JHHBWXSMNHEDGF-OKILXGFUSA-N. The full InChI is InChI=1S/C24H23F3N8O2/c1-13-11-35(12-14(2)37-13)22(36)15-5-6-28-20(7-15)34-23-32-17-8-21(30-10-18(17)33-23)31-16-3-4-19(29-9-16)24(25,26)27/h3-10,13-14H,11-12H2,1-2H3,(H,30,31)(H2,28,32,33,34)/t13-,14+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone has a molecular weight of 512.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is sourced from PubChem (CID 155543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).