methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C24H28N8O5 — CID 139425570

IUPACmethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C24H28N8O5/c1-14-8-15(12-31(21(14)33)16-10-25-29(5)13-16)27-18-9-19(30(6)23(35)37-24(2,3)4)32-20(28-18)17(11-26-32)22(34)36-7/h8-13H,1-7H3,(H,27,28)
InChIKeyLBGIQLZVZCPMSP-UHFFFAOYSA-N
MW508.54 g/mol
LogP2.82
Rot. Bonds5

About methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 139425570) has the molecular formula C24H28N8O5 and a molecular weight of 508.54 g/mol. Its IUPAC name is methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID139425570
Molecular FormulaC24H28N8O5
Molecular Weight508.54 g/mol
Exact Mass508.22
IUPAC Namemethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C24H28N8O5/c1-14-8-15(12-31(21(14)33)16-10-25-29(5)13-16)27-18-9-19(30(6)23(35)37-24(2,3)4)32-20(28-18)17(11-26-32)22(34)36-7/h8-13H,1-7H3,(H,27,28)
InChIKeyLBGIQLZVZCPMSP-UHFFFAOYSA-N
XLogP2.82
TPSA137.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 139425570) is methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12.
What is the InChIKey of methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is LBGIQLZVZCPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O5/c1-14-8-15(12-31(21(14)33)16-10-25-29(5)13-16)27-18-9-19(30(6)23(35)37-24(2,3)4)32-20(28-18)17(11-26-32)22(34)36-7/h8-13H,1-7H3,(H,27,28).
What are the key properties of methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 508.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 139425570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).