6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

C19H23F2N5O4 — CID 156890602

IUPAC6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(C(=O)NC3CC(F)(F)C3)c12
InChIInChI=1S/C19H23F2N5O4/c1-9(2)8-25-16-12(14(27)24-11-5-19(20,21)6-11)7-22-26(16)18(30)13(17(25)29)15(28)23-10-3-4-10/h7,9-11,29H,3-6,8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYZSOTYHAJDSLLO-UHFFFAOYSA-N
MW423.42 g/mol
LogP1.28
Rot. Bonds6

About 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (PubChem CID 156890602) has the molecular formula C19H23F2N5O4 and a molecular weight of 423.42 g/mol. Its IUPAC name is 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
PubChem CID156890602
Molecular FormulaC19H23F2N5O4
Molecular Weight423.42 g/mol
Exact Mass423.17
IUPAC Name6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
SMILESCC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(C(=O)NC3CC(F)(F)C3)c12
InChIInChI=1S/C19H23F2N5O4/c1-9(2)8-25-16-12(14(27)24-11-5-19(20,21)6-11)7-22-26(16)18(30)13(17(25)29)15(28)23-10-3-4-10/h7,9-11,29H,3-6,8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYZSOTYHAJDSLLO-UHFFFAOYSA-N
XLogP1.28
TPSA117.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The IUPAC name of 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide (CID 156890602) is 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(C(=O)NC3CC(F)(F)C3)c12.
What is the InChIKey of 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
The InChIKey is YZSOTYHAJDSLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O4/c1-9(2)8-25-16-12(14(27)24-11-5-19(20,21)6-11)7-22-26(16)18(30)13(17(25)29)15(28)23-10-3-4-10/h7,9-11,29H,3-6,8H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide?
6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide has a molecular weight of 423.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-3-N-(3,3-difluorocyclobutyl)-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide is sourced from PubChem (CID 156890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).