bis(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 157264125

IUPACbis(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(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1
InChIInChI=1S/2C25H26N8O3.C21H20N8OS/c2*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/h2*3-8,13-16,26H,9-12H2,1-2H3,(H,30,34);1-5,10-14,22H,6-9H2,(H,26,30)
InChIKeyAXUMMTYXNKRSGF-UHFFFAOYSA-N
MW1405.58 g/mol
LogP7.25
Rot. Bonds19

About bis(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

bis(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 157264125) has the molecular formula C71H72N24O7S and a molecular weight of 1405.58 g/mol. Its IUPAC name is bis(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 Namebis(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 CID157264125
Molecular FormulaC71H72N24O7S
Molecular Weight1405.58 g/mol
Exact Mass1404.57
IUPAC Namebis(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(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1
InChIInChI=1S/2C25H26N8O3.C21H20N8OS/c2*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/h2*3-8,13-16,26H,9-12H2,1-2H3,(H,30,34);1-5,10-14,22H,6-9H2,(H,26,30)
InChIKeyAXUMMTYXNKRSGF-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 bis(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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Related Compounds

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-ethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methylthiophene-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethyl-1,2-thiazole-5-carboxamide
CID 159942626
[6-Amino-2-(1-pyridin-2-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-[3-[2-[1-[[6-[(3,4-dimethoxyphenyl)methylamino]-4-(3-fluoropyrrolidine-1-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-4-pyridinyl]-4-fluoropyrrolidin-1-yl]methanone
CID 166978553
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453721
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332063
2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332087
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569275
2-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569460
[4-[3-[[2-[4-(3,4-Dimethoxyphenyl)pyrazol-1-yl]pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazin-1-yl]-methylborinic acid
CID 59569496
Tert-butyl 4-[3-[[2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]pyrimidine-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 70830094
2-[2-Methoxy-4-[1-[4-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-4-yl]phenoxy]ethyl hypoiodite
CID 71101807
2-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[4-(dimethylamino)phenyl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(1H-indol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 157192485
2-[4-[3-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-piperazin-1-yl-3-pyridinyl)-2-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 157750103

Frequently Asked Questions

What is the IUPAC name of bis(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 bis(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 157264125) is bis(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 bis(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 bis(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(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.COc1ccc(-c2cnn(-c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)c2)cc1OC.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(-n2cc(-c3ccsc3)cn2)n1.
What is the InChIKey of bis(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 AXUMMTYXNKRSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N8O3.C21H20N8OS/c2*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/h2*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 bis(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?
bis(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 bis(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 157264125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).