(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C105H134F3N11O12 — CID 157358592

IUPAC(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCCC4)nc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3N3CCCC3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NCC(C)C)CC2)C1
InChIInChI=1S/2C27H35N3O3.C27H37N3O3.C24H27F3N2O3/c1-2-32-22-19-24(21-9-4-3-5-10-21)33-27(20-22)12-17-30(18-13-27)26(31)23-11-8-14-28-25(23)29-15-6-7-16-29;1-2-32-23-18-24(21-8-4-3-5-9-21)33-27(19-23)12-16-30(17-13-27)26(31)22-10-11-25(28-20-22)29-14-6-7-15-29;1-4-32-22-17-24(21-9-6-5-7-10-21)33-27(18-22)12-15-30(16-13-27)26(31)23-11-8-14-28-25(23)29-19-20(2)3;1-2-31-19-14-21(17-6-4-3-5-7-17)32-23(15-19)10-12-29(13-11-23)22(30)20-9-8-18(16-28-20)24(25,26)27/h3-5,8-11,14,22,24H,2,6-7,12-13,15-20H2,1H3;3-5,8-11,20,23-24H,2,6-7,12-19H2,1H3;5-11,14,20,22,24H,4,12-13,15-19H2,1-3H3,(H,28,29);3-9,16,19,21H,2,10-15H2,1H3
InChIKeyBIJIOVMLILGPES-UHFFFAOYSA-N
MW1799.29 g/mol
LogP19.34
Rot. Bonds21

About (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 157358592) has the molecular formula C105H134F3N11O12 and a molecular weight of 1799.29 g/mol. Its IUPAC name is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID157358592
Molecular FormulaC105H134F3N11O12
Molecular Weight1799.29 g/mol
Exact Mass1798.02
IUPAC Name(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCCC4)nc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3N3CCCC3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NCC(C)C)CC2)C1
InChIInChI=1S/2C27H35N3O3.C27H37N3O3.C24H27F3N2O3/c1-2-32-22-19-24(21-9-4-3-5-10-21)33-27(20-22)12-17-30(18-13-27)26(31)23-11-8-14-28-25(23)29-15-6-7-16-29;1-2-32-23-18-24(21-8-4-3-5-9-21)33-27(19-23)12-16-30(17-13-27)26(31)22-10-11-25(28-20-22)29-14-6-7-15-29;1-4-32-22-17-24(21-9-6-5-7-10-21)33-27(18-22)12-15-30(16-13-27)26(31)23-11-8-14-28-25(23)29-19-20(2)3;1-2-31-19-14-21(17-6-4-3-5-7-17)32-23(15-19)10-12-29(13-11-23)22(30)20-9-8-18(16-28-20)24(25,26)27/h3-5,8-11,14,22,24H,2,6-7,12-13,15-20H2,1H3;3-5,8-11,20,23-24H,2,6-7,12-19H2,1H3;5-11,14,20,22,24H,4,12-13,15-19H2,1-3H3,(H,28,29);3-9,16,19,21H,2,10-15H2,1H3
InChIKeyBIJIOVMLILGPES-UHFFFAOYSA-N
XLogP19.34
TPSA225.15 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.29
LogP ≤ 519.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 130425807
[6-(2-Aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157193468
3-methyl-N-(4-morpholin-2-ylphenyl)benzamide;N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158188019
(4-Ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone
CID 159554146
(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;bis((2-amino-3-pyridinyl)-[3-(5-methylfuran-2-yl)-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone);(2-amino-3-pyridinyl)-[6-[(6S)-6-(2-methylpropyl)-5,8-diazaspiro[3.5]nonan-8-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 160382537
methyl 6-aminopyridine-3-carboxylate;methyl 6-[[(9S)-5-(4,4,4-trifluorobutanoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carbonyl]amino]pyridine-3-carboxylate;4,4,4-trifluoro-1-[(9S)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]butan-1-one
CID 161292869
6-(3-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;6-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;6-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide;6-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 161612787
tert-butyl (1S,4S)-5-[4-[4-[(4-methoxycarbonylbenzoyl)amino]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 154260353
N-[4-(methylcarbamoyl)cyclohexyl]-4-[[2-[7-[5-[[4-(methylcarbamoyl)cyclohexyl]carbamoyl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-6-yl]oxan-4-yl]amino]-6-pyrrolo[2,3-d]pyrimidin-7-ylpyridine-3-carboxamide
CID 123862403
2-[3-[1-Methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-[[2-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)phenyl]methoxymethyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 142769172
Tert-butyl 4-[4-(4-fluorophenyl)-5-methoxycarbonyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazine-1-carboxylate;methyl 3-(4-fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 157165037

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 157358592) is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCCC4)nc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3N3CCCC3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3NCC(C)C)CC2)C1.
What is the InChIKey of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is BIJIOVMLILGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H35N3O3.C27H37N3O3.C24H27F3N2O3/c1-2-32-22-19-24(21-9-4-3-5-10-21)33-27(20-22)12-17-30(18-13-27)26(31)23-11-8-14-28-25(23)29-15-6-7-16-29;1-2-32-23-18-24(21-8-4-3-5-9-21)33-27(19-23)12-16-30(17-13-27)26(31)22-10-11-25(28-20-22)29-14-6-7-15-29;1-4-32-22-17-24(21-9-6-5-7-10-21)33-27(18-22)12-15-30(16-13-27)26(31)23-11-8-14-28-25(23)29-19-20(2)3;1-2-31-19-14-21(17-6-4-3-5-7-17)32-23(15-19)10-12-29(13-11-23)22(30)20-9-8-18(16-28-20)24(25,26)27/h3-5,8-11,14,22,24H,2,6-7,12-13,15-20H2,1H3;3-5,8-11,20,23-24H,2,6-7,12-19H2,1H3;5-11,14,20,22,24H,4,12-13,15-19H2,1-3H3,(H,28,29);3-9,16,19,21H,2,10-15H2,1H3.
What are the key properties of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1799.29 g/mol, XLogP of 19.34, 21 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2-methylpropylamino)-3-pyridinyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 157358592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).