N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride

C17H17ClF3N7O2 — CID 174057204

IUPACN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
SMILESCC(c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.Cl
InChIInChI=1S/C17H16F3N7O2.ClH/c1-8(11-4-3-9(5-22-11)17(18,19)20)27(2)16(29)15(28)25-12-7-23-14(21)10-6-24-26-13(10)12;/h3-8H,1-2H3,(H2,21,23)(H,24,26)(H,25,28);1H
InChIKeyIEZRJXCDLAZANF-UHFFFAOYSA-N
MW443.82 g/mol
LogP2.53
Rot. Bonds3

About N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride (PubChem CID 174057204) has the molecular formula C17H17ClF3N7O2 and a molecular weight of 443.82 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
PubChem CID174057204
Molecular FormulaC17H17ClF3N7O2
Molecular Weight443.82 g/mol
Exact Mass443.11
IUPAC NameN-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
SMILESCC(c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.Cl
InChIInChI=1S/C17H16F3N7O2.ClH/c1-8(11-4-3-9(5-22-11)17(18,19)20)27(2)16(29)15(28)25-12-7-23-14(21)10-6-24-26-13(10)12;/h3-8H,1-2H3,(H2,21,23)(H,24,26)(H,25,28);1H
InChIKeyIEZRJXCDLAZANF-UHFFFAOYSA-N
XLogP2.53
TPSA129.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.82
LogP ≤ 52.53
H-Bond Donors ≤ 53
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-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride?
The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride (CID 174057204) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride.
What is the SMILES notation for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride?
The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride is CC(c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cn[nH]c12.Cl.
What is the InChIKey of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride?
The InChIKey is IEZRJXCDLAZANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2.ClH/c1-8(11-4-3-9(5-22-11)17(18,19)20)27(2)16(29)15(28)25-12-7-23-14(21)10-6-24-26-13(10)12;/h3-8H,1-2H3,(H2,21,23)(H,24,26)(H,25,28);1H.
What are the key properties of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride?
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride has a molecular weight of 443.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride is sourced from PubChem (CID 174057204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).