[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

C27H26N2O4S — CID 170785539

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccnc4cc(-c5ccc(S(C)=O)cc5)oc34)c2)C[C@H](C)O1
InChIInChI=1S/C27H26N2O4S/c1-17-15-29(16-18(2)32-17)27(30)21-6-4-5-20(13-21)23-11-12-28-24-14-25(33-26(23)24)19-7-9-22(10-8-19)34(3)31/h4-14,17-18H,15-16H2,1-3H3/t17-,18+,34?
InChIKeyKAQOLJLPKCZZOL-NLWAKXORSA-N
MW474.58 g/mol
LogP5.15
Rot. Bonds4

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (PubChem CID 170785539) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
PubChem CID170785539
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccnc4cc(-c5ccc(S(C)=O)cc5)oc34)c2)C[C@H](C)O1
InChIInChI=1S/C27H26N2O4S/c1-17-15-29(16-18(2)32-17)27(30)21-6-4-5-20(13-21)23-11-12-28-24-14-25(33-26(23)24)19-7-9-22(10-8-19)34(3)31/h4-14,17-18H,15-16H2,1-3H3/t17-,18+,34?
InChIKeyKAQOLJLPKCZZOL-NLWAKXORSA-N
XLogP5.15
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785343
[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 170785348
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663
tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 66779886
[1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]cyclopropyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 175993350
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
[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

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone (CID 170785539) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is C[C@@H]1CN(C(=O)c2cccc(-c3ccnc4cc(-c5ccc(S(C)=O)cc5)oc34)c2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The InChIKey is KAQOLJLPKCZZOL-NLWAKXORSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-17-15-29(16-18(2)32-17)27(30)21-6-4-5-20(13-21)23-11-12-28-24-14-25(33-26(23)24)19-7-9-22(10-8-19)34(3)31/h4-14,17-18H,15-16H2,1-3H3/t17-,18+,34?.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone has a molecular weight of 474.58 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone is sourced from PubChem (CID 170785539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).