methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate

C24H25N7O4 — CID 90272360

IUPACmethyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C24H25N7O4/c1-34-18-6-4-17(5-7-18)31-21(27-23(32)19-15-26-30-11-3-10-25-22(19)30)14-20(28-31)16-8-12-29(13-9-16)24(33)35-2/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,32)
InChIKeyOVZLKLRGVJDNSO-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.12
Rot. Bonds5

About methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate

methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 90272360) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID90272360
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Namemethyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C24H25N7O4/c1-34-18-6-4-17(5-7-18)31-21(27-23(32)19-15-26-30-11-3-10-25-22(19)30)14-20(28-31)16-8-12-29(13-9-16)24(33)35-2/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,32)
InChIKeyOVZLKLRGVJDNSO-UHFFFAOYSA-N
XLogP3.12
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate (CID 90272360) is methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is OVZLKLRGVJDNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-34-18-6-4-17(5-7-18)31-21(27-23(32)19-15-26-30-11-3-10-25-22(19)30)14-20(28-31)16-8-12-29(13-9-16)24(33)35-2/h3-7,10-11,14-16H,8-9,12-13H2,1-2H3,(H,27,32).
What are the key properties of methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate?
methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 475.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-methoxyphenyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 90272360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).