ethyl 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

C25H30N8O5 — CID 137450849

IUPACethyl 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
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C25H30N8O5/c1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17/h9-14H,8H2,1-7H3,(H,28,29)
InChIKeyBHNWCCKTIODNIV-UHFFFAOYSA-N
MW522.57 g/mol
LogP3.21
Rot. Bonds6

About ethyl 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

ethyl 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 137450849) has the molecular formula C25H30N8O5 and a molecular weight of 522.57 g/mol. Its IUPAC name is ethyl 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 Nameethyl 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 CID137450849
Molecular FormulaC25H30N8O5
Molecular Weight522.57 g/mol
Exact Mass522.23
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12
InChIInChI=1S/C25H30N8O5/c1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17/h9-14H,8H2,1-7H3,(H,28,29)
InChIKeyBHNWCCKTIODNIV-UHFFFAOYSA-N
XLogP3.21
TPSA137.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze ethyl 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 ethyl 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 ethyl 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 137450849) is ethyl 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 ethyl 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 ethyl 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 CCOC(=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 ethyl 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 BHNWCCKTIODNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O5/c1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17/h9-14H,8H2,1-7H3,(H,28,29).
What are the key properties of ethyl 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?
ethyl 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 522.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 137450849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).