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

C24H23F2N7O2 — CID 155519654

IUPAC[2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(F)c5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C24H23F2N7O2/c1-13-11-33(12-14(2)35-13)23(34)15-5-6-27-21(7-15)32-24-30-19-9-22(28-10-20(19)31-24)29-16-3-4-17(25)18(26)8-16/h3-10,13-14H,11-12H2,1-2H3,(H,28,29)(H2,27,30,31,32)/t13-,14+
InChIKeyVKLIARIGNCSGAQ-OKILXGFUSA-N
MW479.49 g/mol
LogP4.37
Rot. Bonds5

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

[2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 155519654) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID155519654
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC Name[2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(F)c5)ncc4[nH]3)c2)C[C@H](C)O1
InChIInChI=1S/C24H23F2N7O2/c1-13-11-33(12-14(2)35-13)23(34)15-5-6-27-21(7-15)32-24-30-19-9-22(28-10-20(19)31-24)29-16-3-4-17(25)18(26)8-16/h3-10,13-14H,11-12H2,1-2H3,(H,28,29)(H2,27,30,31,32)/t13-,14+
InChIKeyVKLIARIGNCSGAQ-OKILXGFUSA-N
XLogP4.37
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 155519654) is [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccnc(Nc3nc4cc(Nc5ccc(F)c(F)c5)ncc4[nH]3)c2)C[C@H](C)O1.
What is the InChIKey of [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is VKLIARIGNCSGAQ-OKILXGFUSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-13-11-33(12-14(2)35-13)23(34)15-5-6-27-21(7-15)32-24-30-19-9-22(28-10-20(19)31-24)29-16-3-4-17(25)18(26)8-16/h3-10,13-14H,11-12H2,1-2H3,(H,28,29)(H2,27,30,31,32)/t13-,14+.
What are the key properties of [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 479.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(3,4-difluoroanilino)-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 155519654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).