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

C24H28N4O4 — CID 59764186

IUPACmethyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(CN[C@H]2CCc3c2ccc(C(=O)OC(C)(C)C)c3C)n2nccc2n1
InChIInChI=1S/C24H28N4O4/c1-14-16-8-9-19(18(16)7-6-17(14)22(29)32-24(2,3)4)25-13-15-12-20(23(30)31-5)27-21-10-11-26-28(15)21/h6-7,10-12,19,25H,8-9,13H2,1-5H3/t19-/m0/s1
InChIKeyUVUJDROVXDANOQ-IBGZPJMESA-N
MW436.51 g/mol
LogP3.56
Rot. Bonds5

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

methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 59764186) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID59764186
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(CN[C@H]2CCc3c2ccc(C(=O)OC(C)(C)C)c3C)n2nccc2n1
InChIInChI=1S/C24H28N4O4/c1-14-16-8-9-19(18(16)7-6-17(14)22(29)32-24(2,3)4)25-13-15-12-20(23(30)31-5)27-21-10-11-26-28(15)21/h6-7,10-12,19,25H,8-9,13H2,1-5H3/t19-/m0/s1
InChIKeyUVUJDROVXDANOQ-IBGZPJMESA-N
XLogP3.56
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 59764186) is methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(CN[C@H]2CCc3c2ccc(C(=O)OC(C)(C)C)c3C)n2nccc2n1.
What is the InChIKey of methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is UVUJDROVXDANOQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14-16-8-9-19(18(16)7-6-17(14)22(29)32-24(2,3)4)25-13-15-12-20(23(30)31-5)27-21-10-11-26-28(15)21/h6-7,10-12,19,25H,8-9,13H2,1-5H3/t19-/m0/s1.
What are the key properties of methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[[(1S)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 59764186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).