N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane

C43H36F7N13O3 — CID 144734862

IUPACN-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane
SMILESCCC.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1.NN/C=N/c1cccc(C(=O)Nc2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1
InChIInChI=1S/C20H13F4N5O.C20H15F3N8O2.C3H8/c1-11-17(19(30)26-13-8-12(21)9-25-10-13)18-27-16(6-7-29(18)28-11)14-4-2-3-5-15(14)20(22,23)24;21-20(22,23)33-16-6-2-1-4-12(16)13-8-9-31-18(29-13)15(10-27-31)30-19(32)14-5-3-7-17(28-14)25-11-26-24;1-3-2/h2-10H,1H3,(H,26,30);1-11H,24H2,(H,30,32)(H,25,26,28);3H2,1-2H3
InChIKeyKMEBTMXHJHRHJF-UHFFFAOYSA-N
MW915.83 g/mol
LogP8.99
Rot. Bonds9

About N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane

N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane (PubChem CID 144734862) has the molecular formula C43H36F7N13O3 and a molecular weight of 915.83 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane
PubChem CID144734862
Molecular FormulaC43H36F7N13O3
Molecular Weight915.83 g/mol
Exact Mass915.30
IUPAC NameN-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane
SMILESCCC.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1.NN/C=N/c1cccc(C(=O)Nc2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1
InChIInChI=1S/C20H13F4N5O.C20H15F3N8O2.C3H8/c1-11-17(19(30)26-13-8-12(21)9-25-10-13)18-27-16(6-7-29(18)28-11)14-4-2-3-5-15(14)20(22,23)24;21-20(22,23)33-16-6-2-1-4-12(16)13-8-9-31-18(29-13)15(10-27-31)30-19(32)14-5-3-7-17(28-14)25-11-26-24;1-3-2/h2-10H,1H3,(H,26,30);1-11H,24H2,(H,30,32)(H,25,26,28);3H2,1-2H3
InChIKeyKMEBTMXHJHRHJF-UHFFFAOYSA-N
XLogP8.99
TPSA204.00 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.83
LogP ≤ 58.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'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

1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-(3-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-4-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 46879459
N-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]pyridine-3-carboxamide
CID 156340526
2-amino-N-[1-[1-[3-[benzoyl(methyl)amino]propyl]piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522434
2-amino-N-[1-[1-(3-benzamidopropyl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522778
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522879
US10774086, Example 23
CID 134551595
US11155557, Example 69
CID 135188103
US10307426, Example 6
CID 135378788
US10307426, Example 4
CID 135378796

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane (CID 144734862) is N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane is CCC.Cc1nn2ccc(-c3ccccc3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1.NN/C=N/c1cccc(C(=O)Nc2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane?
The InChIKey is KMEBTMXHJHRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O.C20H15F3N8O2.C3H8/c1-11-17(19(30)26-13-8-12(21)9-25-10-13)18-27-16(6-7-29(18)28-11)14-4-2-3-5-15(14)20(22,23)24;21-20(22,23)33-16-6-2-1-4-12(16)13-8-9-31-18(29-13)15(10-27-31)30-19(32)14-5-3-7-17(28-14)25-11-26-24;1-3-2/h2-10H,1H3,(H,26,30);1-11H,24H2,(H,30,32)(H,25,26,28);3H2,1-2H3.
What are the key properties of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane?
N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane has a molecular weight of 915.83 g/mol, XLogP of 8.99, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(E)-hydrazinylmethylideneamino]-N-[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;propane is sourced from PubChem (CID 144734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).