N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

C18H18FN5O2 — CID 16882681

IUPACN-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C18H18FN5O2/c1-11-21-17-15(10-20-24(17)14-6-2-12(19)3-7-14)18(26)23(11)9-8-16(25)22-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyOQUKRPHURIZBMY-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.70
Rot. Bonds5

About N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide

N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (PubChem CID 16882681) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
PubChem CID16882681
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
SMILESCc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C18H18FN5O2/c1-11-21-17-15(10-20-24(17)14-6-2-12(19)3-7-14)18(26)23(11)9-8-16(25)22-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyOQUKRPHURIZBMY-UHFFFAOYSA-N
XLogP1.70
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide (CID 16882681) is N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is Cc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
The InChIKey is OQUKRPHURIZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-21-17-15(10-20-24(17)14-6-2-12(19)3-7-14)18(26)23(11)9-8-16(25)22-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide?
N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide has a molecular weight of 355.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 16882681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).