3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide

C58H58Br2N16O5Sn — CID 157499206

IUPAC3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)cn4)C(C)C)cc23)nc1.CNC(=O)c1ccc(Br)nc1.CNC(=O)c1ccc([Sn](C)(C)C)nc1
InChIInChI=1S/C24H21N7O2.C17H14BrN5O.C7H7BrN2O.C7H7N2O.3CH3.Sn/c1-15(2)31(22-7-4-16(11-25)12-28-22)24(33)17-8-9-30-21(10-17)19(14-29-30)20-6-5-18(13-27-20)23(32)26-3;1-11(2)23(16-4-3-12(8-19)9-20-16)17(24)13-5-6-22-15(7-13)14(18)10-21-22;1-9-7(11)5-2-3-6(8)10-4-5;1-8-7(10)6-3-2-4-9-5-6;;;;/h4-10,12-15H,1-3H3,(H,26,32);3-7,9-11H,1-2H3;2-4H,1H3,(H,9,11);2-3,5H,1H3,(H,8,10);3*1H3;
InChIKeyBYEWREWXJPDXTE-UHFFFAOYSA-N
MW1337.73 g/mol
LogP8.69
Rot. Bonds11

About 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide

3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide (PubChem CID 157499206) has the molecular formula C58H58Br2N16O5Sn and a molecular weight of 1337.73 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide
PubChem CID157499206
Molecular FormulaC58H58Br2N16O5Sn
Molecular Weight1337.73 g/mol
Exact Mass1336.22
IUPAC Name3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)cn4)C(C)C)cc23)nc1.CNC(=O)c1ccc(Br)nc1.CNC(=O)c1ccc([Sn](C)(C)C)nc1
InChIInChI=1S/C24H21N7O2.C17H14BrN5O.C7H7BrN2O.C7H7N2O.3CH3.Sn/c1-15(2)31(22-7-4-16(11-25)12-28-22)24(33)17-8-9-30-21(10-17)19(14-29-30)20-6-5-18(13-27-20)23(32)26-3;1-11(2)23(16-4-3-12(8-19)9-20-16)17(24)13-5-6-22-15(7-13)14(18)10-21-22;1-9-7(11)5-2-3-6(8)10-4-5;1-8-7(10)6-3-2-4-9-5-6;;;;/h4-10,12-15H,1-3H3,(H,26,32);3-7,9-11H,1-2H3;2-4H,1H3,(H,9,11);2-3,5H,1H3,(H,8,10);3*1H3;
InChIKeyBYEWREWXJPDXTE-UHFFFAOYSA-N
XLogP8.69
TPSA274.55 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.73
LogP ≤ 58.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide 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
US11084800, Cpd No. 321
CID 158323509
4-[4-amino-1-[[(2S)-1-[(E)-2-cyano-4-methyl-4-(4-methylpiperazin-1-yl)pent-2-enoyl]pyrrolidin-2-yl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 124160796
US10023570, Example 184
CID 124199962
US10023570, Example 73
CID 124200156
US11053253, Cmp No. T-181
CID 153306481
US11053253, Cmp No. T-180
CID 153306629
US11084800, Cpd No. 274
CID 158579942
US11084800, Cpd No. 436
CID 160794292
US11084800, Cpd No. 273
CID 161686387
4-[4-amino-1-[(3R)-1-[(E)-2-cyano-4-methyl-4-(4-methylpiperazin-1-yl)pent-2-enoyl]piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-pyridin-2-ylbenzamide
CID 162678086
(1R,22R,25S)-16-acetyl-N-(6-bromo-3-methyl-2-pyridinyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,12,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 166767191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide?
The IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide (CID 157499206) is 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide?
The canonical SMILES for 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide is CC(C)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)cn4)C(C)C)cc23)nc1.CNC(=O)c1ccc(Br)nc1.CNC(=O)c1ccc([Sn](C)(C)C)nc1.
What is the InChIKey of 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide?
The InChIKey is BYEWREWXJPDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C17H14BrN5O.C7H7BrN2O.C7H7N2O.3CH3.Sn/c1-15(2)31(22-7-4-16(11-25)12-28-22)24(33)17-8-9-30-21(10-17)19(14-29-30)20-6-5-18(13-27-20)23(32)26-3;1-11(2)23(16-4-3-12(8-19)9-20-16)17(24)13-5-6-22-15(7-13)14(18)10-21-22;1-9-7(11)5-2-3-6(8)10-4-5;1-8-7(10)6-3-2-4-9-5-6;;;;/h4-10,12-15H,1-3H3,(H,26,32);3-7,9-11H,1-2H3;2-4H,1H3,(H,9,11);2-3,5H,1H3,(H,8,10);3*1H3;.
What are the key properties of 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide?
3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide has a molecular weight of 1337.73 g/mol, XLogP of 8.69, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-2-pyridinyl)-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;6-bromo-N-methylpyridine-3-carboxamide;N-(5-cyano-2-pyridinyl)-3-[5-(methylcarbamoyl)-2-pyridinyl]-N-propan-2-ylpyrazolo[1,5-a]pyridine-5-carboxamide;N-methyl-6-trimethylstannylpyridine-3-carboxamide is sourced from PubChem (CID 157499206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).