3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide

C52H52BrN11O4 — CID 158403727

IUPAC3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C)cn4)C4CCC4)cc23)cn1.CNC(=O)c1ccc(C)cc1.Cc1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CCC2)nc1
InChIInChI=1S/C25H24N6O2.C18H17BrN4O.C9H11NO/c1-16-6-9-23(28-13-16)31(19-4-3-5-19)25(33)17-10-11-30-22(12-17)20(15-29-30)18-7-8-21(27-14-18)24(32)26-2;1-12-5-6-17(20-10-12)23(14-3-2-4-14)18(24)13-7-8-22-16(9-13)15(19)11-21-22;1-7-3-5-8(6-4-7)9(11)10-2/h6-15,19H,3-5H2,1-2H3,(H,26,32);5-11,14H,2-4H2,1H3;3-6H,1-2H3,(H,10,11)
InChIKeyGYKMWIMLTJPTJE-UHFFFAOYSA-N
MW974.97 g/mol
LogP9.01
Rot. Bonds9

About 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide

3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide (PubChem CID 158403727) has the molecular formula C52H52BrN11O4 and a molecular weight of 974.97 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide
PubChem CID158403727
Molecular FormulaC52H52BrN11O4
Molecular Weight974.97 g/mol
Exact Mass973.34
IUPAC Name3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C)cn4)C4CCC4)cc23)cn1.CNC(=O)c1ccc(C)cc1.Cc1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CCC2)nc1
InChIInChI=1S/C25H24N6O2.C18H17BrN4O.C9H11NO/c1-16-6-9-23(28-13-16)31(19-4-3-5-19)25(33)17-10-11-30-22(12-17)20(15-29-30)18-7-8-21(27-14-18)24(32)26-2;1-12-5-6-17(20-10-12)23(14-3-2-4-14)18(24)13-7-8-22-16(9-13)15(19)11-21-22;1-7-3-5-8(6-4-7)9(11)10-2/h6-15,19H,3-5H2,1-2H3,(H,26,32);5-11,14H,2-4H2,1H3;3-6H,1-2H3,(H,10,11)
InChIKeyGYKMWIMLTJPTJE-UHFFFAOYSA-N
XLogP9.01
TPSA172.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500974.97
LogP ≤ 59.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide?
The IUPAC name of 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide (CID 158403727) is 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide is CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C)cn4)C4CCC4)cc23)cn1.CNC(=O)c1ccc(C)cc1.Cc1ccc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CCC2)nc1.
What is the InChIKey of 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide?
The InChIKey is GYKMWIMLTJPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C18H17BrN4O.C9H11NO/c1-16-6-9-23(28-13-16)31(19-4-3-5-19)25(33)17-10-11-30-22(12-17)20(15-29-30)18-7-8-21(27-14-18)24(32)26-2;1-12-5-6-17(20-10-12)23(14-3-2-4-14)18(24)13-7-8-22-16(9-13)15(19)11-21-22;1-7-3-5-8(6-4-7)9(11)10-2/h6-15,19H,3-5H2,1-2H3,(H,26,32);5-11,14H,2-4H2,1H3;3-6H,1-2H3,(H,10,11).
What are the key properties of 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide?
3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide has a molecular weight of 974.97 g/mol, XLogP of 9.01, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N-cyclobutyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-(5-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide is sourced from PubChem (CID 158403727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).