ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C23H28N6O5 — CID 137450424

IUPACethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C(=O)OC(C)(C)C)C3CC3)cc(Nc3cccnc3OC)nc12
InChIInChI=1S/C23H28N6O5/c1-6-33-21(30)15-13-25-29-18(28(14-9-10-14)22(31)34-23(2,3)4)12-17(27-19(15)29)26-16-8-7-11-24-20(16)32-5/h7-8,11-14H,6,9-10H2,1-5H3,(H,26,27)
InChIKeyXFQABJGGVMOLTI-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.96
Rot. Bonds7

About ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137450424) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137450424
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Nameethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C(=O)OC(C)(C)C)C3CC3)cc(Nc3cccnc3OC)nc12
InChIInChI=1S/C23H28N6O5/c1-6-33-21(30)15-13-25-29-18(28(14-9-10-14)22(31)34-23(2,3)4)12-17(27-19(15)29)26-16-8-7-11-24-20(16)32-5/h7-8,11-14H,6,9-10H2,1-5H3,(H,26,27)
InChIKeyXFQABJGGVMOLTI-UHFFFAOYSA-N
XLogP3.96
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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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-[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-hydroxycyclobutyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 159923168
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-[(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-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate
CID 137449291
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-[(3-hydroxy-3-methylbutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457668
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
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
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine
CID 162074326

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137450424) is ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N(C(=O)OC(C)(C)C)C3CC3)cc(Nc3cccnc3OC)nc12.
What is the InChIKey of ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XFQABJGGVMOLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c1-6-33-21(30)15-13-25-29-18(28(14-9-10-14)22(31)34-23(2,3)4)12-17(27-19(15)29)26-16-8-7-11-24-20(16)32-5/h7-8,11-14H,6,9-10H2,1-5H3,(H,26,27).
What are the key properties of ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137450424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).