pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C36H36F6N12O3 — CID 158564385

IUPACpyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cccnc1.O=C(Nc1cccnc1)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12.O=C(O)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12
InChIInChI=1S/C18H17F3N6O.C13H13F3N4O2.C5H6N2/c19-18(20,21)14-5-1-2-8-26(14)15-6-9-27-16(25-15)13(11-23-27)17(28)24-12-4-3-7-22-10-12;14-13(15,16)9-3-1-2-5-19(9)10-4-6-20-11(18-10)8(7-17-20)12(21)22;6-5-2-1-3-7-4-5/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,24,28);4,6-7,9H,1-3,5H2,(H,21,22);1-4H,6H2
InChIKeyHRHDSBXVVSZOED-UHFFFAOYSA-N
MW798.75 g/mol
LogP6.31
Rot. Bonds5

About pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 158564385) has the molecular formula C36H36F6N12O3 and a molecular weight of 798.75 g/mol. Its IUPAC name is pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Namepyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID158564385
Molecular FormulaC36H36F6N12O3
Molecular Weight798.75 g/mol
Exact Mass798.29
IUPAC Namepyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNc1cccnc1.O=C(Nc1cccnc1)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12.O=C(O)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12
InChIInChI=1S/C18H17F3N6O.C13H13F3N4O2.C5H6N2/c19-18(20,21)14-5-1-2-8-26(14)15-6-9-27-16(25-15)13(11-23-27)17(28)24-12-4-3-7-22-10-12;14-13(15,16)9-3-1-2-5-19(9)10-4-6-20-11(18-10)8(7-17-20)12(21)22;6-5-2-1-3-7-4-5/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,24,28);4,6-7,9H,1-3,5H2,(H,21,22);1-4H,6H2
InChIKeyHRHDSBXVVSZOED-UHFFFAOYSA-N
XLogP6.31
TPSA185.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.75
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 119098962
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500909
N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199012
2-amino-N-[4-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidin-1-yl]pyridin-3-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199063
2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199309
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199359
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-N-[4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199449
2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199476
2-amino-6-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199641
2-amino-6-fluoro-N-[4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199654
2-amino-6-fluoro-N-[4-[2-(trifluoromethyl)imidazol-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199693

Frequently Asked Questions

What is the IUPAC name of pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 158564385) is pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Nc1cccnc1.O=C(Nc1cccnc1)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12.O=C(O)c1cnn2ccc(N3CCCCC3C(F)(F)F)nc12.
What is the InChIKey of pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HRHDSBXVVSZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O.C13H13F3N4O2.C5H6N2/c19-18(20,21)14-5-1-2-8-26(14)15-6-9-27-16(25-15)13(11-23-27)17(28)24-12-4-3-7-22-10-12;14-13(15,16)9-3-1-2-5-19(9)10-4-6-20-11(18-10)8(7-17-20)12(21)22;6-5-2-1-3-7-4-5/h3-4,6-7,9-11,14H,1-2,5,8H2,(H,24,28);4,6-7,9H,1-3,5H2,(H,21,22);1-4H,6H2.
What are the key properties of pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 798.75 g/mol, XLogP of 6.31, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-amine;N-pyridin-3-yl-5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 158564385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).