N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane

C25H30F3N9O2 — CID 171656253

IUPACN-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc(/C(N)=N/N(N)CCOCC(F)(F)F)cc1NC(=O)c1cnn2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24F3N9O2.C2H6/c1-14-2-3-16(21(27)33-35(28)6-7-37-13-23(24,25)26)8-19(14)32-22(36)18-12-31-34-5-4-15(9-20(18)34)17-10-29-30-11-17;1-2/h2-5,8-12H,6-7,13,28H2,1H3,(H2,27,33)(H,29,30)(H,32,36);1-2H3
InChIKeyJUCUZSAEOLDZEI-UHFFFAOYSA-N
MW545.57 g/mol
LogP3.69
Rot. Bonds9

About N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane

N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane (PubChem CID 171656253) has the molecular formula C25H30F3N9O2 and a molecular weight of 545.57 g/mol. Its IUPAC name is N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane
PubChem CID171656253
Molecular FormulaC25H30F3N9O2
Molecular Weight545.57 g/mol
Exact Mass545.25
IUPAC NameN-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc(/C(N)=N/N(N)CCOCC(F)(F)F)cc1NC(=O)c1cnn2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24F3N9O2.C2H6/c1-14-2-3-16(21(27)33-35(28)6-7-37-13-23(24,25)26)8-19(14)32-22(36)18-12-31-34-5-4-15(9-20(18)34)17-10-29-30-11-17;1-2/h2-5,8-12H,6-7,13,28H2,1H3,(H2,27,33)(H,29,30)(H,32,36);1-2H3
InChIKeyJUCUZSAEOLDZEI-UHFFFAOYSA-N
XLogP3.69
TPSA151.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.57
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-[2-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]phenyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656518
6-(2-hydroxyethoxymethyl)-N-[2-methyl-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 178051373
5-[1-(2-hydroxyethyl)pyrazol-4-yl]-N-[2-methyl-5-(4-methyltriazol-2-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655738
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
5-bromo-N-[2-methyl-5-(5-methyltetrazol-2-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655813
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556586
N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 77112237
tert-butyl (2S)-2-[[4-[3-[[2-methyl-5-(4-methyltriazol-2-yl)phenyl]carbamoyl]pyrazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
CID 171656309
6-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 178051828
ethyl 1-[4-[(2,5-dimethylphenyl)carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 52585142
N-[2,4-dimethyl-5-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656559

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane?
The IUPAC name of N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane (CID 171656253) is N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane?
The canonical SMILES for N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane is CC.Cc1ccc(/C(N)=N/N(N)CCOCC(F)(F)F)cc1NC(=O)c1cnn2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane?
The InChIKey is JUCUZSAEOLDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N9O2.C2H6/c1-14-2-3-16(21(27)33-35(28)6-7-37-13-23(24,25)26)8-19(14)32-22(36)18-12-31-34-5-4-15(9-20(18)34)17-10-29-30-11-17;1-2/h2-5,8-12H,6-7,13,28H2,1H3,(H2,27,33)(H,29,30)(H,32,36);1-2H3.
What are the key properties of N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane?
N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane has a molecular weight of 545.57 g/mol, XLogP of 3.69, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-N'-[amino-[2-(2,2,2-trifluoroethoxy)ethyl]amino]carbamimidoyl]-2-methylphenyl]-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 171656253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).