methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate

C27H28N6O3 — CID 20872249

IUPACmethyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate
SMILESCOC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C)nn(-c4ccc(C)cc4)c3C2=O)cc1
InChIInChI=1S/C27H28N6O3/c1-18-5-7-22(8-6-18)33-25-23(19(2)29-33)13-15-32(26(25)34)21-11-9-20(10-12-21)31-16-14-28-24(31)17-30(3)27(35)36-4/h5-12,14,16H,13,15,17H2,1-4H3
InChIKeyZEQXPAAYFJQSHF-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.08
Rot. Bonds5

About methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate

methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate (PubChem CID 20872249) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate
PubChem CID20872249
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Namemethyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate
SMILESCOC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C)nn(-c4ccc(C)cc4)c3C2=O)cc1
InChIInChI=1S/C27H28N6O3/c1-18-5-7-22(8-6-18)33-25-23(19(2)29-33)13-15-32(26(25)34)21-11-9-20(10-12-21)31-16-14-28-24(31)17-30(3)27(35)36-4/h5-12,14,16H,13,15,17H2,1-4H3
InChIKeyZEQXPAAYFJQSHF-UHFFFAOYSA-N
XLogP4.08
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate with MolForge

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Related Compounds

1-(4-methylphenyl)-6-[4-[2-[[methyl(propanoyl)amino]methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20872126
ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate
CID 10196422
6-[4-[2-[[dimethylcarbamoyl(methyl)amino]methyl]imidazol-1-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10196404
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 86299951
3-methyl-1-(4-methylphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 20816142
1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10163755
1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 10184389
N-[1-(4-methoxyphenyl)-6-[4-[[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]diazenyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
CID 134463049
1-(4-chlorophenyl)-6-(4-iodophenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 20816139
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate (CID 20872249) is methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate is COC(=O)N(C)Cc1nccn1-c1ccc(N2CCc3c(C)nn(-c4ccc(C)cc4)c3C2=O)cc1.
What is the InChIKey of methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate?
The InChIKey is ZEQXPAAYFJQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-18-5-7-22(8-6-18)33-25-23(19(2)29-33)13-15-32(26(25)34)21-11-9-20(10-12-21)31-16-14-28-24(31)17-30(3)27(35)36-4/h5-12,14,16H,13,15,17H2,1-4H3.
What are the key properties of methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate?
methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate has a molecular weight of 484.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[[1-[4-[3-methyl-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 20872249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).