5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane

C51H70BrN13O5 — CID 162203196

IUPAC5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane
SMILESC.C.CCc1c(-c2cc(Nc3cc(CN(C)C4COC4)n(C)n3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.CN(Cc1cc(Nc2cc(Br)cn(C)c2=O)nn1C)C1COC1
InChIInChI=1S/C34H42N8O3.C15H20BrN5O2.2CH4/c1-7-25-26(8-9-35-31(25)42-11-10-41-28(33(42)44)13-21-15-34(2,3)16-29(21)41)22-12-27(32(43)39(5)17-22)36-30-14-23(40(6)37-30)18-38(4)24-19-45-20-24;1-19(12-8-23-9-12)7-11-5-14(18-21(11)3)17-13-4-10(16)6-20(2)15(13)22;;/h8-9,12-14,17,24H,7,10-11,15-16,18-20H2,1-6H3,(H,36,37);4-6,12H,7-9H2,1-3H3,(H,17,18);2*1H4
InChIKeyZRVUSIMUWSMNMQ-UHFFFAOYSA-N
MW1025.11 g/mol
LogP6.63
Rot. Bonds13

About 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane

5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane (PubChem CID 162203196) has the molecular formula C51H70BrN13O5 and a molecular weight of 1025.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane
PubChem CID162203196
Molecular FormulaC51H70BrN13O5
Molecular Weight1025.11 g/mol
Exact Mass1023.48
IUPAC Name5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane
SMILESC.C.CCc1c(-c2cc(Nc3cc(CN(C)C4COC4)n(C)n3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.CN(Cc1cc(Nc2cc(Br)cn(C)c2=O)nn1C)C1COC1
InChIInChI=1S/C34H42N8O3.C15H20BrN5O2.2CH4/c1-7-25-26(8-9-35-31(25)42-11-10-41-28(33(42)44)13-21-15-34(2,3)16-29(21)41)22-12-27(32(43)39(5)17-22)36-30-14-23(40(6)37-30)18-38(4)24-19-45-20-24;1-19(12-8-23-9-12)7-11-5-14(18-21(11)3)17-13-4-10(16)6-20(2)15(13)22;;/h8-9,12-14,17,24H,7,10-11,15-16,18-20H2,1-6H3,(H,36,37);4-6,12H,7-9H2,1-3H3,(H,17,18);2*1H4
InChIKeyZRVUSIMUWSMNMQ-UHFFFAOYSA-N
XLogP6.63
TPSA166.77 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.11
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane?
The IUPAC name of 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane (CID 162203196) is 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane.
What is the SMILES notation for 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane?
The canonical SMILES for 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane is C.C.CCc1c(-c2cc(Nc3cc(CN(C)C4COC4)n(C)n3)c(=O)n(C)c2)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O.CN(Cc1cc(Nc2cc(Br)cn(C)c2=O)nn1C)C1COC1.
What is the InChIKey of 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane?
The InChIKey is ZRVUSIMUWSMNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O3.C15H20BrN5O2.2CH4/c1-7-25-26(8-9-35-31(25)42-11-10-41-28(33(42)44)13-21-15-34(2,3)16-29(21)41)22-12-27(32(43)39(5)17-22)36-30-14-23(40(6)37-30)18-38(4)24-19-45-20-24;1-19(12-8-23-9-12)7-11-5-14(18-21(11)3)17-13-4-10(16)6-20(2)15(13)22;;/h8-9,12-14,17,24H,7,10-11,15-16,18-20H2,1-6H3,(H,36,37);4-6,12H,7-9H2,1-3H3,(H,17,18);2*1H4.
What are the key properties of 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane?
5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane has a molecular weight of 1025.11 g/mol, XLogP of 6.63, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]pyridin-2-one;10-[3-ethyl-4-[1-methyl-5-[[1-methyl-5-[[methyl(oxetan-3-yl)amino]methyl]pyrazol-3-yl]amino]-6-oxo-3-pyridinyl]-2-pyridinyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one;methane is sourced from PubChem (CID 162203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).