6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C119H117N33O15 — CID 158136871

IUPAC6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCNc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)ccn1.COC1CC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=CO.O=CO.O=CO
InChIInChI=1S/2C25H24N6O2.2C22H21N7O2.C22H21N7O.3CH2O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21;1-17-13-18(15-26-14-17)20-6-4-7-22(28-20)25(32)29-23-16-31(19-8-11-33-12-9-19)30-24(23)21-5-2-3-10-27-21;1-31-16-9-15(10-16)29-13-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)14-11-24-25-12-14;30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18;1-3-23-20-13-15(10-12-25-20)16-8-6-9-18(26-16)22(30)27-19-14-29(2)28-21(19)17-7-4-5-11-24-17;3*2-1-3/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32);2-7,10,13-16,19H,8-9,11-12H2,1H3,(H,29,32);2-8,11-13,15-16H,9-10H2,1H3,(H,24,25)(H,27,30);1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30);4-14H,3H2,1-2H3,(H,23,25)(H,27,30);3*1H,(H,2,3)
InChIKeyFTLISFGFDBUQHK-UHFFFAOYSA-N
MW2249.46 g/mol
LogP18.02
Rot. Bonds28

About 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 158136871) has the molecular formula C119H117N33O15 and a molecular weight of 2249.46 g/mol. Its IUPAC name is 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID158136871
Molecular FormulaC119H117N33O15
Molecular Weight2249.46 g/mol
Exact Mass2247.94
IUPAC Name6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCNc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)ccn1.COC1CC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=CO.O=CO.O=CO
InChIInChI=1S/2C25H24N6O2.2C22H21N7O2.C22H21N7O.3CH2O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21;1-17-13-18(15-26-14-17)20-6-4-7-22(28-20)25(32)29-23-16-31(19-8-11-33-12-9-19)30-24(23)21-5-2-3-10-27-21;1-31-16-9-15(10-16)29-13-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)14-11-24-25-12-14;30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18;1-3-23-20-13-15(10-12-25-20)16-8-6-9-18(26-16)22(30)27-19-14-29(2)28-21(19)17-7-4-5-11-24-17;3*2-1-3/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32);2-7,10,13-16,19H,8-9,11-12H2,1H3,(H,29,32);2-8,11-13,15-16H,9-10H2,1H3,(H,24,25)(H,27,30);1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30);4-14H,3H2,1-2H3,(H,23,25)(H,27,30);3*1H,(H,2,3)
InChIKeyFTLISFGFDBUQHK-UHFFFAOYSA-N
XLogP18.02
TPSA620.38 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002249.46
LogP ≤ 518.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 158136871) is 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CCNc1cc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)ccn1.COC1CC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)C1.COC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=CO.O=CO.O=CO.
What is the InChIKey of 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is FTLISFGFDBUQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24N6O2.2C22H21N7O2.C22H21N7O.3CH2O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21;1-17-13-18(15-26-14-17)20-6-4-7-22(28-20)25(32)29-23-16-31(19-8-11-33-12-9-19)30-24(23)21-5-2-3-10-27-21;1-31-16-9-15(10-16)29-13-20(21(28-29)18-5-2-3-8-23-18)27-22(30)19-7-4-6-17(26-19)14-11-24-25-12-14;30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18;1-3-23-20-13-15(10-12-25-20)16-8-6-9-18(26-16)22(30)27-19-14-29(2)28-21(19)17-7-4-5-11-24-17;3*2-1-3/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32);2-7,10,13-16,19H,8-9,11-12H2,1H3,(H,29,32);2-8,11-13,15-16H,9-10H2,1H3,(H,24,25)(H,27,30);1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30);4-14H,3H2,1-2H3,(H,23,25)(H,27,30);3*1H,(H,2,3).
What are the key properties of 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 2249.46 g/mol, XLogP of 18.02, 28 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 158136871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).