3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane

C40H36BrN11O3 — CID 157461502

IUPAC3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane
SMILESC.C.CC(=O)Nc1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cn4)cc23)cc1.CN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C23H18N6O2.C15H10BrN5O.2CH4/c1-15(30)27-19-6-4-17(5-7-19)20-14-26-29-10-9-18(11-21(20)29)23(31)28(2)22-8-3-16(12-24)13-25-22;1-20(14-3-2-10(7-17)8-18-14)15(22)11-4-5-21-13(6-11)12(16)9-19-21;;/h3-11,13-14H,1-2H3,(H,27,30);2-6,8-9H,1H3;2*1H4
InChIKeyBTZCZUATTFIDKS-UHFFFAOYSA-N
MW798.71 g/mol
LogP7.42
Rot. Bonds6

About 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane

3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane (PubChem CID 157461502) has the molecular formula C40H36BrN11O3 and a molecular weight of 798.71 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane
PubChem CID157461502
Molecular FormulaC40H36BrN11O3
Molecular Weight798.71 g/mol
Exact Mass797.22
IUPAC Name3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane
SMILESC.C.CC(=O)Nc1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cn4)cc23)cc1.CN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C23H18N6O2.C15H10BrN5O.2CH4/c1-15(30)27-19-6-4-17(5-7-19)20-14-26-29-10-9-18(11-21(20)29)23(31)28(2)22-8-3-16(12-24)13-25-22;1-20(14-3-2-10(7-17)8-18-14)15(22)11-4-5-21-13(6-11)12(16)9-19-21;;/h3-11,13-14H,1-2H3,(H,27,30);2-6,8-9H,1H3;2*1H4
InChIKeyBTZCZUATTFIDKS-UHFFFAOYSA-N
XLogP7.42
TPSA177.68 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.71
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane with MolForge

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Related Compounds

4-[[(4R)-1-(5-cyano-2-pyridinyl)-3,3-dimethylpiperidin-4-yl]amino]-6-(2-oxo-4-phenylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937362
US9796741, cmp No. 5
CID 118323584
US9796741, cmp No. 25
CID 118323746
US9796741, cmp No. 101
CID 118323747
US10023570, Example 51
CID 124200146
(2S,4R)-1-(2-(3-acetyl-5-(2-(cyanomethyl) pyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623120
(2S,4R)-1-(2-(3-acetyl-5-(6-methylpyridazin-4-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126642911
(2S,4R)-1-(2-(3-acetyl-5-(2-aminopyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromo-3-methylpyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126642917
1-(2-((2S,4R)-2-((6-bromopyridin-2-yl)carbamoyl)-4-fluoropyrrolidin-1-yl)-2-oxoethyl)-N-methyl-5-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 126643008
(2S,4R)-1-(2-(3-acetyl-5-(2-aminopyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126643009
(2S,4S)-1-(2-(3-acetyl-5-(2-methylpyrimidin-5-yl)-1H-indazol-1-yl)acetyl)-N-(6-bromo-3-methylpyridin-2-yl)-4-((dimethylamino) methyl)-4-fluoropyrrolidine-2-carboxamide
CID 126643293
US10023570, Example 360
CID 126740163

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The IUPAC name of 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane (CID 157461502) is 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The canonical SMILES for 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane is C.C.CC(=O)Nc1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(C#N)cn4)cc23)cc1.CN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The InChIKey is BTZCZUATTFIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2.C15H10BrN5O.2CH4/c1-15(30)27-19-6-4-17(5-7-19)20-14-26-29-10-9-18(11-21(20)29)23(31)28(2)22-8-3-16(12-24)13-25-22;1-20(14-3-2-10(7-17)8-18-14)15(22)11-4-5-21-13(6-11)12(16)9-19-21;;/h3-11,13-14H,1-2H3,(H,27,30);2-6,8-9H,1H3;2*1H4.
What are the key properties of 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane?
3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane has a molecular weight of 798.71 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane is sourced from PubChem (CID 157461502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).