N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide

C18H15F3N6OSe — CID 178125817

IUPACN-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide
SMILESNc1cccc2c([Se]C(F)(F)F)c(C#CCNC(=O)c3cnn(C4CC4)c3)nn12
InChIInChI=1S/C18H15F3N6OSe/c19-18(20,21)29-16-13(25-27-14(16)4-1-5-15(27)22)3-2-8-23-17(28)11-9-24-26(10-11)12-6-7-12/h1,4-5,9-10,12H,6-8,22H2,(H,23,28)
InChIKeySYJBOTQOEFVUAU-UHFFFAOYSA-N
MW467.31 g/mol
LogP1.08
Rot. Bonds4

About N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide

N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide (PubChem CID 178125817) has the molecular formula C18H15F3N6OSe and a molecular weight of 467.31 g/mol. Its IUPAC name is N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide
PubChem CID178125817
Molecular FormulaC18H15F3N6OSe
Molecular Weight467.31 g/mol
Exact Mass468.04
IUPAC NameN-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide
SMILESNc1cccc2c([Se]C(F)(F)F)c(C#CCNC(=O)c3cnn(C4CC4)c3)nn12
InChIInChI=1S/C18H15F3N6OSe/c19-18(20,21)29-16-13(25-27-14(16)4-1-5-15(27)22)3-2-8-23-17(28)11-9-24-26(10-11)12-6-7-12/h1,4-5,9-10,12H,6-8,22H2,(H,23,28)
InChIKeySYJBOTQOEFVUAU-UHFFFAOYSA-N
XLogP1.08
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide;3,7-dimethyl-3-azabicyclo[4.1.0]heptane
CID 178125859
N-[3-[7-amino-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide
CID 178125274
N-[3-[7-[(3-methyl-3-azabicyclo[4.1.0]heptan-6-yl)amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-(oxetan-3-yl)pyrazole-4-carboxamide
CID 178125631
2-methyl-N-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1,3-thiazole-5-carboxamide
CID 178125734
N-[3-[7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]cyclopropanecarboxamide
CID 178125557
1-methyl-N-[3-[7-[[(1R,2R,5R)-8-[2-(methylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]pyrazole-4-carboxamide
CID 178125322
3-methoxy-4-[3-[7-[[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynylamino]-N-(3-methyloxetan-3-yl)benzamide
CID 178125787
3-[3-[7-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynylamino]-4-methoxy-N-methylbenzamide
CID 178125865
N-[3-[7-[[3-(2,2-difluoroethyl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 178125921
1-cyclopropyl-N-[3-[7-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-bicyclo[3.1.1]heptanyl]amino]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]pyrazole-4-carboxamide;1-N-[2-[3-(4-dimethylphosphoryl-2-methoxyanilino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-yl]-5-N,5-N-dimethylbicyclo[3.1.1]heptane-1,5-diamine;ethane
CID 178125208
N-[3-[8-[[(1R,2R,5R)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-2-yl]amino]-3-(trifluoromethylselanyl)indolizin-2-yl]prop-2-ynyl]-1-methylpyrazole-4-carboxamide
CID 178125837
N-[3-[7-[[3-(3-cyanooxetan-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]amino]-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]acetamide
CID 178125728

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide (CID 178125817) is N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide is Nc1cccc2c([Se]C(F)(F)F)c(C#CCNC(=O)c3cnn(C4CC4)c3)nn12.
What is the InChIKey of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide?
The InChIKey is SYJBOTQOEFVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OSe/c19-18(20,21)29-16-13(25-27-14(16)4-1-5-15(27)22)3-2-8-23-17(28)11-9-24-26(10-11)12-6-7-12/h1,4-5,9-10,12H,6-8,22H2,(H,23,28).
What are the key properties of N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide?
N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide has a molecular weight of 467.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-amino-3-(trifluoromethylselanyl)pyrazolo[1,5-a]pyridin-2-yl]prop-2-ynyl]-1-cyclopropylpyrazole-4-carboxamide is sourced from PubChem (CID 178125817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).