N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide

C19H20FN5O3 — CID 136527344

IUPACN-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)N(c3cccc(F)c3)C3CCOCC3)cnc21
InChIInChI=1S/C19H20FN5O3/c1-23-18-16(10-22-23)19(27)24(12-21-18)11-17(26)25(14-5-7-28-8-6-14)15-4-2-3-13(20)9-15/h2-4,9-10,12,14H,5-8,11H2,1H3
InChIKeyUCJXEXSEKWFSEQ-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.48
Rot. Bonds4

About N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide

N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide (PubChem CID 136527344) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide
PubChem CID136527344
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide
SMILESCn1ncc2c(=O)n(CC(=O)N(c3cccc(F)c3)C3CCOCC3)cnc21
InChIInChI=1S/C19H20FN5O3/c1-23-18-16(10-22-23)19(27)24(12-21-18)11-17(26)25(14-5-7-28-8-6-14)15-4-2-3-13(20)9-15/h2-4,9-10,12,14H,5-8,11H2,1H3
InChIKeyUCJXEXSEKWFSEQ-UHFFFAOYSA-N
XLogP1.48
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide (CID 136527344) is N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide is Cn1ncc2c(=O)n(CC(=O)N(c3cccc(F)c3)C3CCOCC3)cnc21.
What is the InChIKey of N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is UCJXEXSEKWFSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-23-18-16(10-22-23)19(27)24(12-21-18)11-17(26)25(14-5-7-28-8-6-14)15-4-2-3-13(20)9-15/h2-4,9-10,12,14H,5-8,11H2,1H3.
What are the key properties of N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide?
N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 136527344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).