N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride

C99H108Cl4N30O7 — CID 158787578

IUPACN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride
SMILESCN1CCN(c2ccc(-c3nn(C)cc3NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCN(C)CC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCOCC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(OCC(C)(C)O)cn3)n2)c1.Cl.Cl.Cl.Cl
InChIInChI=1S/C26H28N8O.C25H25N7O2.C25H26N6O3.C23H25N9O.4ClH/c1-18-13-19(15-27-14-18)21-5-4-6-23(29-21)26(35)30-24-17-33(3)31-25(24)22-8-7-20(16-28-22)34-11-9-32(2)10-12-34;1-17-12-18(14-26-13-17)20-4-3-5-22(28-20)25(33)29-23-16-31(2)30-24(23)21-7-6-19(15-27-21)32-8-10-34-11-9-32;1-16-10-17(12-26-11-16)19-6-5-7-21(28-19)24(32)29-22-14-31(4)30-23(22)20-9-8-18(13-27-20)34-15-25(2,3)33;1-30-10-12-32(13-11-30)16-6-7-19(24-14-16)22-21(15-31(2)29-22)27-23(33)20-5-3-4-17(26-20)18-8-9-25-28-18;;;;/h4-8,13-17H,9-12H2,1-3H3,(H,30,35);3-7,12-16H,8-11H2,1-2H3,(H,29,33);5-14,33H,15H2,1-4H3,(H,29,32);3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,27,33);4*1H
InChIKeyBDMXVFXGBSXIGP-UHFFFAOYSA-N
MW1971.97 g/mol
LogP14.20
Rot. Bonds22

About N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride

N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride (PubChem CID 158787578) has the molecular formula C99H108Cl4N30O7 and a molecular weight of 1971.97 g/mol. Its IUPAC name is N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride.

Molecular Properties

Compound NameN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride
PubChem CID158787578
Molecular FormulaC99H108Cl4N30O7
Molecular Weight1971.97 g/mol
Exact Mass1968.78
IUPAC NameN-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride
SMILESCN1CCN(c2ccc(-c3nn(C)cc3NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCN(C)CC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCOCC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(OCC(C)(C)O)cn3)n2)c1.Cl.Cl.Cl.Cl
InChIInChI=1S/C26H28N8O.C25H25N7O2.C25H26N6O3.C23H25N9O.4ClH/c1-18-13-19(15-27-14-18)21-5-4-6-23(29-21)26(35)30-24-17-33(3)31-25(24)22-8-7-20(16-28-22)34-11-9-32(2)10-12-34;1-17-12-18(14-26-13-17)20-4-3-5-22(28-20)25(33)29-23-16-31(2)30-24(23)21-7-6-19(15-27-21)32-8-10-34-11-9-32;1-16-10-17(12-26-11-16)19-6-5-7-21(28-19)24(32)29-22-14-31(4)30-23(22)20-9-8-18(13-27-20)34-15-25(2,3)33;1-30-10-12-32(13-11-30)16-6-7-19(24-14-16)22-21(15-31(2)29-22)27-23(33)20-5-3-4-17(26-20)18-8-9-25-28-18;;;;/h4-8,13-17H,9-12H2,1-3H3,(H,30,35);3-7,12-16H,8-11H2,1-2H3,(H,29,33);5-14,33H,15H2,1-4H3,(H,29,32);3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,27,33);4*1H
InChIKeyBDMXVFXGBSXIGP-UHFFFAOYSA-N
XLogP14.20
TPSA413.04 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001971.97
LogP ≤ 514.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
CID 134450226
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 160857788
N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638821
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
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-3-morpholin-4-yl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175396874
N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 134450331
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354
N-(5-methyl-2-morpholin-4-yl-4-pyridinyl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 165129736
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889
6-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-yl]pyridine-2-carboxylic acid
CID 66889608
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450198

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride?
The IUPAC name of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride (CID 158787578) is N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride.
What is the SMILES notation for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride?
The canonical SMILES for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride is CN1CCN(c2ccc(-c3nn(C)cc3NC(=O)c3cccc(-c4ccn[nH]4)n3)nc2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCN(C)CC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(N4CCOCC4)cn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccc(OCC(C)(C)O)cn3)n2)c1.Cl.Cl.Cl.Cl.
What is the InChIKey of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride?
The InChIKey is BDMXVFXGBSXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O.C25H25N7O2.C25H26N6O3.C23H25N9O.4ClH/c1-18-13-19(15-27-14-18)21-5-4-6-23(29-21)26(35)30-24-17-33(3)31-25(24)22-8-7-20(16-28-22)34-11-9-32(2)10-12-34;1-17-12-18(14-26-13-17)20-4-3-5-22(28-20)25(33)29-23-16-31(2)30-24(23)21-7-6-19(15-27-21)32-8-10-34-11-9-32;1-16-10-17(12-26-11-16)19-6-5-7-21(28-19)24(32)29-22-14-31(4)30-23(22)20-9-8-18(13-27-20)34-15-25(2,3)33;1-30-10-12-32(13-11-30)16-6-7-19(24-14-16)22-21(15-31(2)29-22)27-23(33)20-5-3-4-17(26-20)18-8-9-25-28-18;;;;/h4-8,13-17H,9-12H2,1-3H3,(H,30,35);3-7,12-16H,8-11H2,1-2H3,(H,29,33);5-14,33H,15H2,1-4H3,(H,29,32);3-9,14-15H,10-13H2,1-2H3,(H,25,28)(H,27,33);4*1H.
What are the key properties of N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride?
N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride has a molecular weight of 1971.97 g/mol, XLogP of 14.20, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride is sourced from PubChem (CID 158787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).