[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone

C23H27F2N3O3 — CID 89088409

IUPAC[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccc2)O3)n1
InChIInChI=1S/C23H27F2N3O3/c1-30-21-9-5-8-18(26-21)22(29)28-12-10-23(11-13-28)16-27(15-20(24)25)14-19(31-23)17-6-3-2-4-7-17/h2-9,19-20H,10-16H2,1H3
InChIKeyHFIPZHONIVPQPF-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.40
Rot. Bonds5

About [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone

[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 89088409) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone
PubChem CID89088409
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccc2)O3)n1
InChIInChI=1S/C23H27F2N3O3/c1-30-21-9-5-8-18(26-21)22(29)28-12-10-23(11-13-28)16-27(15-20(24)25)14-19(31-23)17-6-3-2-4-7-17/h2-9,19-20H,10-16H2,1H3
InChIKeyHFIPZHONIVPQPF-UHFFFAOYSA-N
XLogP3.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 88924385
2-methyl-6-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl]pyridine-3-carbonitrile
CID 66548002
[4-(2,2-difluoroethyl)-2-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone
CID 89088387
(2-methyl-1,3-benzoxazol-7-yl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 66548004
2-[9-[4-(2-hydroxypropan-2-yl)-3-methoxybenzoyl]-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]acetonitrile
CID 89088404
[4-(2,2-difluoroethyl)-2-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 66546241
[2-(2-chlorophenyl)-4-(2,2-difluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 88924212
(3-chloro-4-propan-2-yloxyphenyl)-[4-(2,2-difluoroethyl)-2-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 66546242
[4-(2,2-difluoroethyl)-2-(1H-pyrazol-5-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 66546052
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420
[4-(2-fluoro-2,2-diiodoethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[2-fluoro-4-(2-methylpropyl)phenyl]methanone
CID 146735987
[4-(2-hydroxyethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158525654

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone (CID 89088409) is [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccc2)O3)n1.
What is the InChIKey of [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is HFIPZHONIVPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-30-21-9-5-8-18(26-21)22(29)28-12-10-23(11-13-28)16-27(15-20(24)25)14-19(31-23)17-6-3-2-4-7-17/h2-9,19-20H,10-16H2,1H3.
What are the key properties of [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone?
[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 431.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 89088409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).