5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

C20H22N10O2 — CID 27478858

IUPAC5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ncccn5)CC4)ncnc32)no1
InChIInChI=1S/C20H22N10O2/c1-14-11-16(27-32-14)19(31)21-5-6-30-18-15(12-26-30)17(24-13-25-18)28-7-9-29(10-8-28)20-22-3-2-4-23-20/h2-4,11-13H,5-10H2,1H3,(H,21,31)
InChIKeyYWDQRISGIPFEPN-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.67
Rot. Bonds6

About 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 27478858) has the molecular formula C20H22N10O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID27478858
Molecular FormulaC20H22N10O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ncccn5)CC4)ncnc32)no1
InChIInChI=1S/C20H22N10O2/c1-14-11-16(27-32-14)19(31)21-5-6-30-18-15(12-26-30)17(24-13-25-18)28-7-9-29(10-8-28)20-22-3-2-4-23-20/h2-4,11-13H,5-10H2,1H3,(H,21,31)
InChIKeyYWDQRISGIPFEPN-UHFFFAOYSA-N
XLogP0.67
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
N-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 137640206
N-{2-[4-(azepan-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-methyl-1,2-oxazole-3-carboxamide
CID 27478842
N-{2-[4-(4-benzylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-methyl-1,2-oxazole-3-carboxamide
CID 27478847
N-(2-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 27478851
5-methyl-N-{2-[4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide
CID 27478854
5-methyl-N-{2-[4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-1,2-oxazole-3-carboxamide
CID 27478860
5-phenyl-N-(2-(4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)isoxazole-3-carboxamide
CID 44054817
5-phenyl-N-(2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)isoxazole-3-carboxamide
CID 44054818
5-methyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)isoxazole-3-carboxamide
CID 76148121
1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86808985
N-(3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl)-5-methylisoxazole-3-carboxamide
CID 91813786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 27478858) is 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ncccn5)CC4)ncnc32)no1.
What is the InChIKey of 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YWDQRISGIPFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10O2/c1-14-11-16(27-32-14)19(31)21-5-6-30-18-15(12-26-30)17(24-13-25-18)28-7-9-29(10-8-28)20-22-3-2-4-23-20/h2-4,11-13H,5-10H2,1H3,(H,21,31).
What are the key properties of 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 27478858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).