(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

C25H30ClF2N3O3 — CID 66546242

IUPAC(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
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccn2)O3)cc1Cl
InChIInChI=1S/C25H30ClF2N3O3/c1-17(2)33-21-7-6-18(13-19(21)26)24(32)31-11-8-25(9-12-31)16-30(15-23(27)28)14-22(34-25)20-5-3-4-10-29-20/h3-7,10,13,17,22-23H,8-9,11-12,14-16H2,1-2H3
InChIKeyMJAYEWVMTLFHIL-UHFFFAOYSA-N
MW493.98 g/mol
LogP4.84
Rot. Bonds6

About (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

(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 (PubChem CID 66546242) has the molecular formula C25H30ClF2N3O3 and a molecular weight of 493.98 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID66546242
Molecular FormulaC25H30ClF2N3O3
Molecular Weight493.98 g/mol
Exact Mass493.19
IUPAC Name(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
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccn2)O3)cc1Cl
InChIInChI=1S/C25H30ClF2N3O3/c1-17(2)33-21-7-6-18(13-19(21)26)24(32)31-11-8-25(9-12-31)16-30(15-23(27)28)14-22(34-25)20-5-3-4-10-29-20/h3-7,10,13,17,22-23H,8-9,11-12,14-16H2,1-2H3
InChIKeyMJAYEWVMTLFHIL-UHFFFAOYSA-N
XLogP4.84
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

[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
[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-(2,2-difluoroethyl)-2-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone
CID 89088387
[4-benzyl-2-(4-chlorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70872873
[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
[8-(2,2-difluoroethyl)-10-(1-methylimidazol-2-yl)-1-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 123903445
(3-methoxy-4-propan-2-yloxyphenyl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 70906347
(4-benzyl-2-ethenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 86672478
(3-methyl-4-propan-2-yloxyphenyl)-[2-(5-methyl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 66548535
[4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(6-methoxy-2-pyridinyl)methanone
CID 89088409
[4-(2,2-difluoropropyl)-2-(methoxymethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70906456

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)F)CC(c2ccccn2)O3)cc1Cl.
What is the InChIKey of (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?
The InChIKey is MJAYEWVMTLFHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF2N3O3/c1-17(2)33-21-7-6-18(13-19(21)26)24(32)31-11-8-25(9-12-31)16-30(15-23(27)28)14-22(34-25)20-5-3-4-10-29-20/h3-7,10,13,17,22-23H,8-9,11-12,14-16H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 493.98 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 66546242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).