2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide

C71H72N24O7S — CID 159388670

IUPAC2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2ccn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)n2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1
InChIInChI=1S/2C25H26N8O3.C21H20N8OS/c1-35-22-4-3-17(15-23(22)36-2)18-7-12-33(31-18)25-28-9-5-19(30-25)24(34)29-20-16-27-8-6-21(20)32-13-10-26-11-14-32;1-35-22-4-3-17(13-23(22)36-2)18-14-29-33(16-18)25-28-8-5-19(31-25)24(34)30-20-15-27-7-6-21(20)32-11-9-26-10-12-32;30-20(26-18-12-23-4-2-19(18)28-8-6-22-7-9-28)17-1-5-24-21(27-17)29-13-16(11-25-29)15-3-10-31-14-15/h3-9,12,15-16,26H,10-11,13-14H2,1-2H3,(H,29,34);3-8,13-16,26H,9-12H2,1-2H3,(H,30,34);1-5,10-14,22H,6-9H2,(H,26,30)
InChIKeyLLVFUXJBWCOOOX-UHFFFAOYSA-N
MW1405.58 g/mol
LogP7.25
Rot. Bonds19

About 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide

2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide (PubChem CID 159388670) has the molecular formula C71H72N24O7S and a molecular weight of 1405.58 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide
PubChem CID159388670
Molecular FormulaC71H72N24O7S
Molecular Weight1405.58 g/mol
Exact Mass1404.57
IUPAC Name2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2ccn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)n2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1
InChIInChI=1S/2C25H26N8O3.C21H20N8OS/c1-35-22-4-3-17(15-23(22)36-2)18-7-12-33(31-18)25-28-9-5-19(30-25)24(34)29-20-16-27-8-6-21(20)32-13-10-26-11-14-32;1-35-22-4-3-17(13-23(22)36-2)18-14-29-33(16-18)25-28-8-5-19(31-25)24(34)30-20-15-27-7-6-21(20)32-11-9-26-10-12-32;30-20(26-18-12-23-4-2-19(18)28-8-6-22-7-9-28)17-1-5-24-21(27-17)29-13-16(11-25-29)15-3-10-31-14-15/h3-9,12,15-16,26H,10-11,13-14H2,1-2H3,(H,29,34);3-8,13-16,26H,9-12H2,1-2H3,(H,30,34);1-5,10-14,22H,6-9H2,(H,26,30)
InChIKeyLLVFUXJBWCOOOX-UHFFFAOYSA-N
XLogP7.25
TPSA339.50 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001405.58
LogP ≤ 57.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide (CID 159388670) is 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide is COc1ccc(-c2ccn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)n2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is LLVFUXJBWCOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N8O3.C21H20N8OS/c1-35-22-4-3-17(15-23(22)36-2)18-7-12-33(31-18)25-28-9-5-19(30-25)24(34)29-20-16-27-8-6-21(20)32-13-10-26-11-14-32;1-35-22-4-3-17(13-23(22)36-2)18-14-29-33(16-18)25-28-8-5-19(31-25)24(34)30-20-15-27-7-6-21(20)32-11-9-26-10-12-32;30-20(26-18-12-23-4-2-19(18)28-8-6-22-7-9-28)17-1-5-24-21(27-17)29-13-16(11-25-29)15-3-10-31-14-15/h3-9,12,15-16,26H,10-11,13-14H2,1-2H3,(H,29,34);3-8,13-16,26H,9-12H2,1-2H3,(H,30,34);1-5,10-14,22H,6-9H2,(H,26,30).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide?
2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 1405.58 g/mol, XLogP of 7.25, 19 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-(4-thiophen-3-ylpyrazol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 159388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).