ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C26H30N4O5 — CID 69272886

IUPACethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C(=O)NC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)cc(C)nc12
InChIInChI=1S/C26H30N4O5/c1-7-34-24(32)19-13-27-30-21(12-14(2)28-22(19)30)23(31)29-20-11-10-16-15(3)17(8-9-18(16)20)25(33)35-26(4,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3,(H,29,31)
InChIKeyUPKRTCXYEZSWLH-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.90
Rot. Bonds5

About ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 69272886) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID69272886
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Nameethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C(=O)NC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)cc(C)nc12
InChIInChI=1S/C26H30N4O5/c1-7-34-24(32)19-13-27-30-21(12-14(2)28-22(19)30)23(31)29-20-11-10-16-15(3)17(8-9-18(16)20)25(33)35-26(4,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3,(H,29,31)
InChIKeyUPKRTCXYEZSWLH-UHFFFAOYSA-N
XLogP3.90
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 69272886) is ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C(=O)NC3CCc4c3ccc(C(=O)OC(C)(C)C)c4C)cc(C)nc12.
What is the InChIKey of ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is UPKRTCXYEZSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-7-34-24(32)19-13-27-30-21(12-14(2)28-22(19)30)23(31)29-20-11-10-16-15(3)17(8-9-18(16)20)25(33)35-26(4,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3,(H,29,31).
What are the key properties of ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-7-[[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 69272886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).