(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

C26H25N3O5S — CID 170785231

IUPAC(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1
InChIInChI=1S/C26H25N3O5S/c1-16-14-33-15-17(2)29(16)26(30)19-6-4-5-18(11-19)21-9-10-27-22-12-23(34-25(21)22)20-7-8-24(28-13-20)35(3,31)32/h4-13,16-17H,14-15H2,1-3H3
InChIKeyXNFVBPPBCLJZIF-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.21
Rot. Bonds4

About (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (PubChem CID 170785231) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
PubChem CID170785231
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1
InChIInChI=1S/C26H25N3O5S/c1-16-14-33-15-17(2)29(16)26(30)19-6-4-5-18(11-19)21-9-10-27-22-12-23(34-25(21)22)20-7-8-24(28-13-20)35(3,31)32/h4-13,16-17H,14-15H2,1-3H3
InChIKeyXNFVBPPBCLJZIF-UHFFFAOYSA-N
XLogP4.21
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
N,N-dimethyl-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 170785533
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
[3-[2-(6-tert-butylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 170785217
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
CID 170785385
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785539
morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785343
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
CID 170785489

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (CID 170785231) is (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is CC1COCC(C)N1C(=O)c1cccc(-c2ccnc3cc(-c4ccc(S(C)(=O)=O)nc4)oc23)c1.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The InChIKey is XNFVBPPBCLJZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-16-14-33-15-17(2)29(16)26(30)19-6-4-5-18(11-19)21-9-10-27-22-12-23(34-25(21)22)20-7-8-24(28-13-20)35(3,31)32/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone has a molecular weight of 491.57 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is sourced from PubChem (CID 170785231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).