tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

C29H34N4O4 — CID 68874934

IUPACtert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOc1cccc(CNC(=O)c2cc(CNC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)ncn2)c1
InChIInChI=1S/C29H34N4O4/c1-18-22-11-12-25(24(22)10-9-23(18)28(35)37-29(2,3)4)30-16-20-14-26(33-17-32-20)27(34)31-15-19-7-6-8-21(13-19)36-5/h6-10,13-14,17,25,30H,11-12,15-16H2,1-5H3,(H,31,34)
InChIKeyDVDJHIZDJLFOAD-UHFFFAOYSA-N
MW502.62 g/mol
LogP4.46
Rot. Bonds8

About tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate

tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 68874934) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID68874934
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Nametert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOc1cccc(CNC(=O)c2cc(CNC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)ncn2)c1
InChIInChI=1S/C29H34N4O4/c1-18-22-11-12-25(24(22)10-9-23(18)28(35)37-29(2,3)4)30-16-20-14-26(33-17-32-20)27(34)31-15-19-7-6-8-21(13-19)36-5/h6-10,13-14,17,25,30H,11-12,15-16H2,1-5H3,(H,31,34)
InChIKeyDVDJHIZDJLFOAD-UHFFFAOYSA-N
XLogP4.46
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (1S)-1-[[6-[[3-(2,5-dioxoimidazolidin-4-yl)phenyl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 140504355
tert-butyl 1-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 69265764
tert-butyl (1S)-4-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 70309696
tert-butyl (1S)-1-[[[5-[(3-aminophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-hydroxymethyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 143344270
tert-butyl (1S)-4-methyl-1-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 70321289
(1S)-1-[[6-[(4-fluoro-3-methoxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686765
(1S)-1-[[6-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 11706684
tert-butyl (1S)-4-methyl-1-[[5-[[3-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]sulfamoyl]phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59461558
[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl] hydrogen carbonate
CID 69160390
tert-butyl (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 59461845
tert-butyl (1S)-1-[[3-fluoro-5-(1H-indazol-5-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 59461390
4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686072

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate (CID 68874934) is tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is COc1cccc(CNC(=O)c2cc(CNC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)ncn2)c1.
What is the InChIKey of tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is DVDJHIZDJLFOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-18-22-11-12-25(24(22)10-9-23(18)28(35)37-29(2,3)4)30-16-20-14-26(33-17-32-20)27(34)31-15-19-7-6-8-21(13-19)36-5/h6-10,13-14,17,25,30H,11-12,15-16H2,1-5H3,(H,31,34).
What are the key properties of tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate?
tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 502.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 68874934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).