N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide

C18H22N8O4 — CID 42323996

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)no1
InChIInChI=1S/C18H22N8O4/c1-12-7-14(22-30-12)21-15(27)9-24-3-5-25(6-4-24)16(28)10-26-11-19-17-13(18(26)29)8-20-23(17)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,27)
InChIKeyNDMYQPUPTLPZOB-UHFFFAOYSA-N
MW414.43 g/mol
LogP-0.79
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 42323996) has the molecular formula C18H22N8O4 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID42323996
Molecular FormulaC18H22N8O4
Molecular Weight414.43 g/mol
Exact Mass414.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)no1
InChIInChI=1S/C18H22N8O4/c1-12-7-14(22-30-12)21-15(27)9-24-3-5-25(6-4-24)16(28)10-26-11-19-17-13(18(26)29)8-20-23(17)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,27)
InChIKeyNDMYQPUPTLPZOB-UHFFFAOYSA-N
XLogP-0.79
TPSA131.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24618274
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 134036516
5-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55646125
1-methyl-5-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 43039794
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22110276
5-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 24572118

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide (CID 42323996) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)Cn3cnc4c(cnn4C)c3=O)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is NDMYQPUPTLPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O4/c1-12-7-14(22-30-12)21-15(27)9-24-3-5-25(6-4-24)16(28)10-26-11-19-17-13(18(26)29)8-20-23(17)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 414.43 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 42323996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).