(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one

C43H55F3N6O4 — CID 118562460

IUPAC(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCN(CCc3ncccc3F)CC2)C1.O=C(c1ccccc1F)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C24H27F2N3O2.C19H28FN3O2/c25-19-5-2-1-4-18(19)22(30)29-16-23(8-9-23)31-24(17-29)10-14-28(15-11-24)13-7-21-20(26)6-3-12-27-21;1-3-18(24)23-13-15(2)25-19(14-23)7-11-22(12-8-19)10-6-17-16(20)5-4-9-21-17/h1-6,12H,7-11,13-17H2;4-5,9,15H,3,6-8,10-14H2,1-2H3
InChIKeyODOMQPKFWWGLSD-UHFFFAOYSA-N
MW776.95 g/mol
LogP5.70
Rot. Bonds8

About (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one

(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one (PubChem CID 118562460) has the molecular formula C43H55F3N6O4 and a molecular weight of 776.95 g/mol. Its IUPAC name is (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one.

Molecular Properties

Compound Name(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
PubChem CID118562460
Molecular FormulaC43H55F3N6O4
Molecular Weight776.95 g/mol
Exact Mass776.42
IUPAC Name(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one
SMILESCCC(=O)N1CC(C)OC2(CCN(CCc3ncccc3F)CC2)C1.O=C(c1ccccc1F)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C24H27F2N3O2.C19H28FN3O2/c25-19-5-2-1-4-18(19)22(30)29-16-23(8-9-23)31-24(17-29)10-14-28(15-11-24)13-7-21-20(26)6-3-12-27-21;1-3-18(24)23-13-15(2)25-19(14-23)7-11-22(12-8-19)10-6-17-16(20)5-4-9-21-17/h1-6,12H,7-11,13-17H2;4-5,9,15H,3,6-8,10-14H2,1-2H3
InChIKeyODOMQPKFWWGLSD-UHFFFAOYSA-N
XLogP5.70
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.95
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one with MolForge

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Related Compounds

(2-fluorophenyl)-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone;methane
CID 159118723
(2,4-difluorophenyl)-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562297
[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]-(2-methoxyphenyl)methanone
CID 118562285
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 135374678
[9-[2-(3-chloro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
CID 118562225
(2-fluorophenyl)-[8-[2-(6-methoxy-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone
CID 118562219
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 126744952
(5-fluoro-2-pyridinyl)-[2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562243
[9-[2-(5-fluoro-3-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
CID 118570230
[9-[2-(5-fluoro-3-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone;hydrochloride
CID 130202680
methyl 3-[12-(2,6-difluorobenzoyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl]propanoate
CID 118562324
12-benzyl-8-[2-(3-methyl-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 155632222

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The IUPAC name of (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one (CID 118562460) is (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one.
What is the SMILES notation for (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The canonical SMILES for (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one is CCC(=O)N1CC(C)OC2(CCN(CCc3ncccc3F)CC2)C1.O=C(c1ccccc1F)N1CC2(CCN(CCc3ncccc3F)CC2)OC2(CC2)C1.
What is the InChIKey of (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one?
The InChIKey is ODOMQPKFWWGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2.C19H28FN3O2/c25-19-5-2-1-4-18(19)22(30)29-16-23(8-9-23)31-24(17-29)10-14-28(15-11-24)13-7-21-20(26)6-3-12-27-21;1-3-18(24)23-13-15(2)25-19(14-23)7-11-22(12-8-19)10-6-17-16(20)5-4-9-21-17/h1-6,12H,7-11,13-17H2;4-5,9,15H,3,6-8,10-14H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one?
(2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one has a molecular weight of 776.95 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[8-[2-(3-fluoro-2-pyridinyl)ethyl]-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-12-yl]methanone;1-[9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]propan-1-one is sourced from PubChem (CID 118562460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).