3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane

C56H54BBrN16O6 — CID 160809022

IUPAC3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane
SMILESC.C.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(C#N)cn1.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.NC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C27H22N8O2.C20H16BrN7O.C7H8BNO3.2CH4/c1-18(17-33-11-2-10-31-33)35(25-8-3-19(14-28)15-30-25)27(37)22-9-12-34-24(13-22)23(16-32-34)20-4-6-21(7-5-20)26(29)36;1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27;9-7(10)5-1-3-6(4-2-5)8(11)12;;/h2-13,15-16,18H,17H2,1H3,(H2,29,36);2-9,11-12,14H,13H2,1H3;1-4,11-12H,(H2,9,10);2*1H4
InChIKeySEBOFWWNBLRWAC-UHFFFAOYSA-N
MW1137.87 g/mol
LogP6.33
Rot. Bonds14

About 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane

3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane (PubChem CID 160809022) has the molecular formula C56H54BBrN16O6 and a molecular weight of 1137.87 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane.

Molecular Properties

Compound Name3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane
PubChem CID160809022
Molecular FormulaC56H54BBrN16O6
Molecular Weight1137.87 g/mol
Exact Mass1136.37
IUPAC Name3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane
SMILESC.C.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(C#N)cn1.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.NC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C27H22N8O2.C20H16BrN7O.C7H8BNO3.2CH4/c1-18(17-33-11-2-10-31-33)35(25-8-3-19(14-28)15-30-25)27(37)22-9-12-34-24(13-22)23(16-32-34)20-4-6-21(7-5-20)26(29)36;1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27;9-7(10)5-1-3-6(4-2-5)8(11)12;;/h2-13,15-16,18H,17H2,1H3,(H2,29,36);2-9,11-12,14H,13H2,1H3;1-4,11-12H,(H2,9,10);2*1H4
InChIKeySEBOFWWNBLRWAC-UHFFFAOYSA-N
XLogP6.33
TPSA310.86 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.87
LogP ≤ 56.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane with MolForge

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Related Compounds

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 69
CID 124199872
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
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,4-dimethylbenzamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 159161118
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
CID 159671176
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[6-(methylcarbamoyl)-3-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 159832476
3-bromo-N-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide;N,5-dimethylpyridine-2-carboxamide;N-ethyl-3-[4-(methylcarbamoyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 159889596
US12209085, Example 230
CID 146660302
3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 76283418
3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90175897
4-[4-amino-1-[[(2S)-1-[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 140930526
4-[4-amino-1-[(3R)-1-[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 140930536

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane (CID 160809022) is 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane.
What is the SMILES notation for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The canonical SMILES for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane is C.C.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(-c3ccc(C(N)=O)cc3)c2c1)c1ccc(C#N)cn1.CC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.NC(=O)c1ccc(B(O)O)cc1.
What is the InChIKey of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane?
The InChIKey is SEBOFWWNBLRWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O2.C20H16BrN7O.C7H8BNO3.2CH4/c1-18(17-33-11-2-10-31-33)35(25-8-3-19(14-28)15-30-25)27(37)22-9-12-34-24(13-22)23(16-32-34)20-4-6-21(7-5-20)26(29)36;1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27;9-7(10)5-1-3-6(4-2-5)8(11)12;;/h2-13,15-16,18H,17H2,1H3,(H2,29,36);2-9,11-12,14H,13H2,1H3;1-4,11-12H,(H2,9,10);2*1H4.
What are the key properties of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane?
3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane has a molecular weight of 1137.87 g/mol, XLogP of 6.33, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane is sourced from PubChem (CID 160809022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).