N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

C26H26N4O4 — CID 118514614

IUPACN-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
SMILESCOc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4cccc(C)c4)c3=O)noc1-2
InChIInChI=1S/C26H26N4O4/c1-15-7-5-9-18(13-15)30-26(32)22(16(2)29(30)3)27-25(31)23-21-10-6-8-17-14-19(33-4)11-12-20(17)24(21)34-28-23/h5,7,9,11-14H,6,8,10H2,1-4H3,(H,27,31)
InChIKeyHHDHOTDOZACAPU-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.20
Rot. Bonds4

About N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (PubChem CID 118514614) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
PubChem CID118514614
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
SMILESCOc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4cccc(C)c4)c3=O)noc1-2
InChIInChI=1S/C26H26N4O4/c1-15-7-5-9-18(13-15)30-26(32)22(16(2)29(30)3)27-25(31)23-21-10-6-8-17-14-19(33-4)11-12-20(17)24(21)34-28-23/h5,7,9,11-14H,6,8,10H2,1-4H3,(H,27,31)
InChIKeyHHDHOTDOZACAPU-UHFFFAOYSA-N
XLogP4.20
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide with MolForge

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Related Compounds

N-[1-(4-ethylphenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 126715948
12-methoxy-N-[1-methyl-3-oxo-2-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 118514612
7-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253421
N-[1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-12-(2-methylpropyl)-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 118514650
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 15994242
N-[1-(2-fluorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-5-(4-methoxy-2-methylphenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118514750
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 6621302
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17253405
3,3-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9-oxa-8-azatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),6(10),7,11,13-pentaene-7-carboxamide
CID 118514621
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 27649177
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 118514696
4-chloro-5-[2-chloro-4-(difluoromethoxy)phenyl]-N-[1-(2-fluorophenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 118514759

Frequently Asked Questions

What is the IUPAC name of N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The IUPAC name of N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide (CID 118514614) is N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide.
What is the SMILES notation for N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The canonical SMILES for N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is COc1ccc2c(c1)CCCc1c(C(=O)Nc3c(C)n(C)n(-c4cccc(C)c4)c3=O)noc1-2.
What is the InChIKey of N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
The InChIKey is HHDHOTDOZACAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-15-7-5-9-18(13-15)30-26(32)22(16(2)29(30)3)27-25(31)23-21-10-6-8-17-14-19(33-4)11-12-20(17)24(21)34-28-23/h5,7,9,11-14H,6,8,10H2,1-4H3,(H,27,31).
What are the key properties of N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide?
N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 118514614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).