(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

C26H32F3N3O3 — CID 70906264

IUPAC(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)ccc1OC(C)C
InChIInChI=1S/C26H32F3N3O3/c1-18(2)34-22-10-9-21(30-19(22)3)24(33)32-13-11-25(12-14-32)16-31(17-26(27,28)29)15-23(35-25)20-7-5-4-6-8-20/h4-10,18,23H,11-17H2,1-3H3
InChIKeyPUEFJMNNFXZDHS-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.79
Rot. Bonds5

About (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone

(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 70906264) has the molecular formula C26H32F3N3O3 and a molecular weight of 491.55 g/mol. Its IUPAC name is (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID70906264
Molecular FormulaC26H32F3N3O3
Molecular Weight491.55 g/mol
Exact Mass491.24
IUPAC Name(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESCc1nc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)ccc1OC(C)C
InChIInChI=1S/C26H32F3N3O3/c1-18(2)34-22-10-9-21(30-19(22)3)24(33)32-13-11-25(12-14-32)16-31(17-26(27,28)29)15-23(35-25)20-7-5-4-6-8-20/h4-10,18,23H,11-17H2,1-3H3
InChIKeyPUEFJMNNFXZDHS-UHFFFAOYSA-N
XLogP4.79
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 70906264) is (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is Cc1nc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)ccc1OC(C)C.
What is the InChIKey of (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is PUEFJMNNFXZDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O3/c1-18(2)34-22-10-9-21(30-19(22)3)24(33)32-13-11-25(12-14-32)16-31(17-26(27,28)29)15-23(35-25)20-7-5-4-6-8-20/h4-10,18,23H,11-17H2,1-3H3.
What are the key properties of (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone?
(6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 491.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-5-propan-2-yloxy-2-pyridinyl)-[2-phenyl-4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 70906264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).