2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate

C42H51N15O3 — CID 143656329

IUPAC2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C24H27N7O2.C18H24N8O/c1-2-33-24(32)22(16-7-4-3-5-8-16)30-15-18(13-27-30)19-14-28-31-21(25)11-20(29-23(19)31)17-9-6-10-26-12-17;1-24(2)17(27)11-25-10-13(8-21-25)14-9-22-26-16(19)6-15(23-18(14)26)12-4-3-5-20-7-12/h3-5,7-8,11,13-15,17,22,26H,2,6,9-10,12,25H2,1H3;6,8-10,12,20H,3-5,7,11,19H2,1-2H3
InChIKeyCJOFGZXGYGVYEY-UHFFFAOYSA-N
MW813.97 g/mol
LogP3.52
Rot. Bonds10

About 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate

2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate (PubChem CID 143656329) has the molecular formula C42H51N15O3 and a molecular weight of 813.97 g/mol. Its IUPAC name is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate.

Molecular Properties

Compound Name2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
PubChem CID143656329
Molecular FormulaC42H51N15O3
Molecular Weight813.97 g/mol
Exact Mass813.43
IUPAC Name2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C24H27N7O2.C18H24N8O/c1-2-33-24(32)22(16-7-4-3-5-8-16)30-15-18(13-27-30)19-14-28-31-21(25)11-20(29-23(19)31)17-9-6-10-26-12-17;1-24(2)17(27)11-25-10-13(8-21-25)14-9-22-26-16(19)6-15(23-18(14)26)12-4-3-5-20-7-12/h3-5,7-8,11,13-15,17,22,26H,2,6,9-10,12,25H2,1H3;6,8-10,12,20H,3-5,7,11,19H2,1-2H3
InChIKeyCJOFGZXGYGVYEY-UHFFFAOYSA-N
XLogP3.52
TPSA218.73 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.97
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate with MolForge

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Related Compounds

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(2S)-2-[[2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]-3-phenylpropanoic acid
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CID 155232043
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
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2-[5-[[3-[9-[[4-[3-(difluoromethyl)-4-[[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]cyclohexyl]methylamino]nonyl]-5-pyridin-3-ylbenzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?
The IUPAC name of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate (CID 143656329) is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate.
What is the SMILES notation for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?
The canonical SMILES for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)n1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.CN(C)C(=O)Cn1cc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?
The InChIKey is CJOFGZXGYGVYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2.C18H24N8O/c1-2-33-24(32)22(16-7-4-3-5-8-16)30-15-18(13-27-30)19-14-28-31-21(25)11-20(29-23(19)31)17-9-6-10-26-12-17;1-24(2)17(27)11-25-10-13(8-21-25)14-9-22-26-16(19)6-15(23-18(14)26)12-4-3-5-20-7-12/h3-5,7-8,11,13-15,17,22,26H,2,6,9-10,12,25H2,1H3;6,8-10,12,20H,3-5,7,11,19H2,1-2H3.
What are the key properties of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate?
2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate has a molecular weight of 813.97 g/mol, XLogP of 3.52, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-N,N-dimethylacetamide;ethyl 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-2-phenylacetate is sourced from PubChem (CID 143656329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).