tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C21H26N6O4 — CID 176913768

IUPACtert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCOCC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3C)nc12
InChIInChI=1S/C21H26N6O4/c1-13-15(8-7-9-22-13)24-17-10-18(26(5)20(29)31-21(2,3)4)27-19(25-17)14(11-23-27)16(28)12-30-6/h7-11H,12H2,1-6H3,(H,24,25)
InChIKeyAGTKDUUSRCMCHA-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.38
Rot. Bonds6

About tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 176913768) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
PubChem CID176913768
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Nametert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
SMILESCOCC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3C)nc12
InChIInChI=1S/C21H26N6O4/c1-13-15(8-7-9-22-13)24-17-10-18(26(5)20(29)31-21(2,3)4)27-19(25-17)14(11-23-27)16(28)12-30-6/h7-11H,12H2,1-6H3,(H,24,25)
InChIKeyAGTKDUUSRCMCHA-UHFFFAOYSA-N
XLogP3.38
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate 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

5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137449309
ethane;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142524014
tert-butyl N-[5-chloro-3-(2-methoxyacetyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913724
tert-butyl N-[3-[(3-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159923168
tert-butyl N-[3-[2-[(2R)-2-hydroxy-2-methylcyclobutyl]acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 158090685
tert-butyl N-[3-[(3-hydroxy-2-methylpropyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457817
tert-butyl N-[5-[(2-methoxy-3-pyridinyl)amino]-3-[2-(oxolan-2-yl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913760
tert-butyl N-[3-(cyclobutylcarbamoyl)-5-[(2-cyclopropyloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 142523456
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(1S,2R)-2-hydroxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137450392
methyl 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 139383864
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[[(3S)-3-hydroxycyclopentyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457432
tert-butyl N-[5-[(2-cyclopropyloxy-3-pyridinyl)amino]-3-[(3-hydroxy-3-methylbutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 176913768) is tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is COCC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3C)nc12.
What is the InChIKey of tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
The InChIKey is AGTKDUUSRCMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-13-15(8-7-9-22-13)24-17-10-18(26(5)20(29)31-21(2,3)4)27-19(25-17)14(11-23-27)16(28)12-30-6/h7-11H,12H2,1-6H3,(H,24,25).
What are the key properties of tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?
tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 426.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methoxyacetyl)-5-[(2-methyl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 176913768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).