11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

C25H34N6O4 — CID 59442140

IUPAC11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCC(C)OCCOc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2
InChIInChI=1S/C25H34N6O4/c1-17(2)33-10-11-34-20-7-6-19-12-21(20)35-15-22(32)31(4)9-5-8-30(3)14-18-13-26-24-23(18)25(29-19)28-16-27-24/h6-7,12-13,16-17H,5,8-11,14-15H2,1-4H3,(H2,26,27,28,29)
InChIKeyUJDFCXTXCODAJU-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.18
Rot. Bonds5

About 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (PubChem CID 59442140) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.

Molecular Properties

Compound Name11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
PubChem CID59442140
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Name11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCC(C)OCCOc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2
InChIInChI=1S/C25H34N6O4/c1-17(2)33-10-11-34-20-7-6-19-12-21(20)35-15-22(32)31(4)9-5-8-30(3)14-18-13-26-24-23(18)25(29-19)28-16-27-24/h6-7,12-13,16-17H,5,8-11,14-15H2,1-4H3,(H2,26,27,28,29)
InChIKeyUJDFCXTXCODAJU-UHFFFAOYSA-N
XLogP3.18
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one with MolForge

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Related Compounds

6-(2-Methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
CID 59442302
2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155109148
methyl 2-[3-[[4-[(dimethylamino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenoxy]acetate
CID 122189156
N-[3-[[2-(4-morpholin-4-ylanilino)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
CID 155530459
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 11589985
(2S)-N-(3-methoxyphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187803
[3-[[4-(2-methoxyethoxymethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 44481840
N-(3-methoxyphenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 44542622
3-(4-hydroxy-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)phenyl dimethylcarbamate
CID 57920202
1-[3-fluoro-4-[[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 137363305
4-(cyclohexylamino)-2-[2-methoxy-4-(3-oxomorpholin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155109123
4-(butylamino)-2-[2-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155109125

Frequently Asked Questions

What is the IUPAC name of 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The IUPAC name of 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (CID 59442140) is 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.
What is the SMILES notation for 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The canonical SMILES for 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is CC(C)OCCOc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2.
What is the InChIKey of 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The InChIKey is UJDFCXTXCODAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-17(2)33-10-11-34-20-7-6-19-12-21(20)35-15-22(32)31(4)9-5-8-30(3)14-18-13-26-24-23(18)25(29-19)28-16-27-24/h6-7,12-13,16-17H,5,8-11,14-15H2,1-4H3,(H2,26,27,28,29).
What are the key properties of 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one has a molecular weight of 482.59 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethyl-6-(2-propan-2-yloxyethoxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is sourced from PubChem (CID 59442140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).