N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide

C20H19F5N6O2 — CID 169111034

IUPACN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide
SMILESCC(c1ccc(C(F)(F)C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cnc(N)c2c1cnn2C
InChIInChI=1S/C20H19F5N6O2/c1-10(11-4-6-12(7-5-11)19(21,22)20(23,24)25)30(2)18(33)17(32)29-14-9-27-16(26)15-13(14)8-28-31(15)3/h4-10H,1-3H3,(H2,26,27)(H,29,32)
InChIKeyDCFSZAQERXOXDT-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.36
Rot. Bonds4

About N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide

N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide (PubChem CID 169111034) has the molecular formula C20H19F5N6O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide
PubChem CID169111034
Molecular FormulaC20H19F5N6O2
Molecular Weight470.40 g/mol
Exact Mass470.15
IUPAC NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide
SMILESCC(c1ccc(C(F)(F)C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cnc(N)c2c1cnn2C
InChIInChI=1S/C20H19F5N6O2/c1-10(11-4-6-12(7-5-11)19(21,22)20(23,24)25)30(2)18(33)17(32)29-14-9-27-16(26)15-13(14)8-28-31(15)3/h4-10H,1-3H3,(H2,26,27)(H,29,32)
InChIKeyDCFSZAQERXOXDT-UHFFFAOYSA-N
XLogP3.36
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide?
The IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide (CID 169111034) is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide is CC(c1ccc(C(F)(F)C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cnc(N)c2c1cnn2C.
What is the InChIKey of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide?
The InChIKey is DCFSZAQERXOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N6O2/c1-10(11-4-6-12(7-5-11)19(21,22)20(23,24)25)30(2)18(33)17(32)29-14-9-27-16(26)15-13(14)8-28-31(15)3/h4-10H,1-3H3,(H2,26,27)(H,29,32).
What are the key properties of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide?
N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide has a molecular weight of 470.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 169111034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).