ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C22H24N6O4 — CID 137457674

IUPACethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4ncccc34)nc12
InChIInChI=1S/C22H24N6O4/c1-6-31-20(29)15-12-25-28-17(27(5)21(30)32-22(2,3)4)10-16(26-19(15)28)14-11-24-18-13(14)8-7-9-23-18/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyCQFHLTTVZNFAOG-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.82
Rot. Bonds4

About ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137457674) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137457674
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Nameethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4ncccc34)nc12
InChIInChI=1S/C22H24N6O4/c1-6-31-20(29)15-12-25-28-17(27(5)21(30)32-22(2,3)4)10-16(26-19(15)28)14-11-24-18-13(14)8-7-9-23-18/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyCQFHLTTVZNFAOG-UHFFFAOYSA-N
XLogP3.82
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)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-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137457674) is ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4ncccc34)nc12.
What is the InChIKey of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is CQFHLTTVZNFAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-6-31-20(29)15-12-25-28-17(27(5)21(30)32-22(2,3)4)10-16(26-19(15)28)14-11-24-18-13(14)8-7-9-23-18/h7-12H,6H2,1-5H3,(H,23,24).
What are the key properties of ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137457674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).