morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone

C25H19F3N2O4S — CID 170785343

IUPACmorpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2ccnc3cc(-c4ccc(S(=O)C(F)(F)F)cc4)oc23)c1)N1CCOCC1
InChIInChI=1S/C25H19F3N2O4S/c26-25(27,28)35(32)19-6-4-16(5-7-19)22-15-21-23(34-22)20(8-9-29-21)17-2-1-3-18(14-17)24(31)30-10-12-33-13-11-30/h1-9,14-15H,10-13H2
InChIKeyLSFYOXREANLJOT-UHFFFAOYSA-N
MW500.50 g/mol
LogP5.26
Rot. Bonds4

About morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone

morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone (PubChem CID 170785343) has the molecular formula C25H19F3N2O4S and a molecular weight of 500.50 g/mol. Its IUPAC name is morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
PubChem CID170785343
Molecular FormulaC25H19F3N2O4S
Molecular Weight500.50 g/mol
Exact Mass500.10
IUPAC Namemorpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2ccnc3cc(-c4ccc(S(=O)C(F)(F)F)cc4)oc23)c1)N1CCOCC1
InChIInChI=1S/C25H19F3N2O4S/c26-25(27,28)35(32)19-6-4-16(5-7-19)22-15-21-23(34-22)20(8-9-29-21)17-2-1-3-18(14-17)24(31)30-10-12-33-13-11-30/h1-9,14-15H,10-13H2
InChIKeyLSFYOXREANLJOT-UHFFFAOYSA-N
XLogP5.26
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785539
[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-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
[4-(2-iodofuro[3,2-b]pyridin-7-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 170785513
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
CID 56993724
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 66779732
tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 66779886

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone (CID 170785343) is morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone is O=C(c1cccc(-c2ccnc3cc(-c4ccc(S(=O)C(F)(F)F)cc4)oc23)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone?
The InChIKey is LSFYOXREANLJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O4S/c26-25(27,28)35(32)19-6-4-16(5-7-19)22-15-21-23(34-22)20(8-9-29-21)17-2-1-3-18(14-17)24(31)30-10-12-33-13-11-30/h1-9,14-15H,10-13H2.
What are the key properties of morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone?
morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone has a molecular weight of 500.50 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone is sourced from PubChem (CID 170785343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).