(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone

C25H30N2O4 — CID 126741092

IUPAC(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(O)C=C(c2ccccn2)O3)ccc1OC(C)C
InChIInChI=1S/C25H30N2O4/c1-17(2)30-22-8-7-19(14-18(22)3)24(29)27-12-9-25(10-13-27)16-20(28)15-23(31-25)21-6-4-5-11-26-21/h4-8,11,14-15,17,20,28H,9-10,12-13,16H2,1-3H3
InChIKeySVVFEJOXJBFKLS-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.97
Rot. Bonds4

About (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone

(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 126741092) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
PubChem CID126741092
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(O)C=C(c2ccccn2)O3)ccc1OC(C)C
InChIInChI=1S/C25H30N2O4/c1-17(2)30-22-8-7-19(14-18(22)3)24(29)27-12-9-25(10-13-27)16-20(28)15-23(31-25)21-6-4-5-11-26-21/h4-8,11,14-15,17,20,28H,9-10,12-13,16H2,1-3H3
InChIKeySVVFEJOXJBFKLS-UHFFFAOYSA-N
XLogP3.97
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

9-(3-methyl-4-propan-2-yloxybenzoyl)-2-pyridin-4-yl-1-oxa-9-azaspiro[5.5]undec-2-en-4-one
CID 126741107
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158002391
(3-methyl-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 58551586
[4-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126740950
(4-benzyl-2-ethenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 86672478
[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
[4-benzyl-2-(4-chlorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 70872873
(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-hydroxyethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158525654
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone (CID 126741092) is (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CC(O)C=C(c2ccccn2)O3)ccc1OC(C)C.
What is the InChIKey of (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
The InChIKey is SVVFEJOXJBFKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-17(2)30-22-8-7-19(14-18(22)3)24(29)27-12-9-25(10-13-27)16-20(28)15-23(31-25)21-6-4-5-11-26-21/h4-8,11,14-15,17,20,28H,9-10,12-13,16H2,1-3H3.
What are the key properties of (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone?
(4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 422.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undec-2-en-9-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 126741092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).