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

C22H24N8O2 — CID 27478854

IUPAC5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)no1
InChIInChI=1S/C22H24N8O2/c1-16-13-19(27-32-16)22(31)23-7-8-30-21-18(14-26-30)20(24-15-25-21)29-11-9-28(10-12-29)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,23,31)
InChIKeyVSHIOLCKEODPLY-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.88
Rot. Bonds6

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

5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 27478854) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID27478854
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)no1
InChIInChI=1S/C22H24N8O2/c1-16-13-19(27-32-16)22(31)23-7-8-30-21-18(14-26-30)20(24-15-25-21)29-11-9-28(10-12-29)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,23,31)
InChIKeyVSHIOLCKEODPLY-UHFFFAOYSA-N
XLogP1.88
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-(4-phenylpiperazin-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-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide (CID 27478854) is 5-methyl-N-[2-[4-(4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)no1.
What is the InChIKey of 5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VSHIOLCKEODPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-16-13-19(27-32-16)22(31)23-7-8-30-21-18(14-26-30)20(24-15-25-21)29-11-9-28(10-12-29)17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,23,31).
What are the key properties of 5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 27478854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).