N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C16H15F2N5O3 — CID 17479938

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)NCc3ccccc3OC(F)F)cnc21
InChIInChI=1S/C16H15F2N5O3/c1-22-14-11(7-21-22)15(25)23(9-20-14)8-13(24)19-6-10-4-2-3-5-12(10)26-16(17)18/h2-5,7,9,16H,6,8H2,1H3,(H,19,24)
InChIKeyRFLVVBTVTPGQAV-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.05
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 17479938) has the molecular formula C16H15F2N5O3 and a molecular weight of 363.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID17479938
Molecular FormulaC16H15F2N5O3
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)NCc3ccccc3OC(F)F)cnc21
InChIInChI=1S/C16H15F2N5O3/c1-22-14-11(7-21-22)15(25)23(9-20-14)8-13(24)19-6-10-4-2-3-5-12(10)26-16(17)18/h2-5,7,9,16H,6,8H2,1H3,(H,19,24)
InChIKeyRFLVVBTVTPGQAV-UHFFFAOYSA-N
XLogP1.05
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 26022125
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 42010194
N-[(2,3-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55583480
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 37397903
(2-propan-2-ylphenyl) 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 86915548
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
N-[(4-chlorophenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 25399300
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 55495980
N-[(2-chlorophenyl)methyl]-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422934
5-[[2-(difluoromethoxy)phenyl]methyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 24604170
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 17479938) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)NCc3ccccc3OC(F)F)cnc21.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is RFLVVBTVTPGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3/c1-22-14-11(7-21-22)15(25)23(9-20-14)8-13(24)19-6-10-4-2-3-5-12(10)26-16(17)18/h2-5,7,9,16H,6,8H2,1H3,(H,19,24).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 363.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 17479938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).