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

C19H19F3N6O2 — CID 169110951

IUPACN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cnc(N)c2c1cnn2C
InChIInChI=1S/C19H19F3N6O2/c1-10(11-4-6-12(7-5-11)19(20,21)22)27(2)18(30)17(29)26-14-9-24-16(23)15-13(14)8-25-28(15)3/h4-10H,1-3H3,(H2,23,24)(H,26,29)/t10-/m0/s1
InChIKeyCQALULGNQIPMBQ-JTQLQIEISA-N
MW420.40 g/mol
LogP2.73
Rot. Bonds3

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

N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 169110951) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID169110951
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)C(=O)Nc1cnc(N)c2c1cnn2C
InChIInChI=1S/C19H19F3N6O2/c1-10(11-4-6-12(7-5-11)19(20,21)22)27(2)18(30)17(29)26-14-9-24-16(23)15-13(14)8-25-28(15)3/h4-10H,1-3H3,(H2,23,24)(H,26,29)/t10-/m0/s1
InChIKeyCQALULGNQIPMBQ-JTQLQIEISA-N
XLogP2.73
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 169110951) is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is C[C@@H](c1ccc(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'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is CQALULGNQIPMBQ-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-10(11-4-6-12(7-5-11)19(20,21)22)27(2)18(30)17(29)26-14-9-24-16(23)15-13(14)8-25-28(15)3/h4-10H,1-3H3,(H2,23,24)(H,26,29)/t10-/m0/s1.
What are the key properties of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-N'-methyl-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 420.40 g/mol, XLogP of 2.73, 3 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'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 169110951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).