N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H50N12O3 — CID 166344543

IUPACN-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCCC(CN(C)C(=O)c2cccc(C(=O)N3CCC(n4cc(-c5ccc(NC(=O)c6cnn7c(C)cc(C)nc67)cc5)nn4)CC3)c2)C1c1cnn(C)c1
InChIInChI=1S/C43H50N12O3/c1-6-52-18-8-11-33(39(52)34-23-44-51(5)26-34)25-50(4)42(57)31-9-7-10-32(22-31)43(58)53-19-16-36(17-20-53)54-27-38(48-49-54)30-12-14-35(15-13-30)47-41(56)37-24-45-55-29(3)21-28(2)46-40(37)55/h7,9-10,12-15,21-24,26-27,33,36,39H,6,8,11,16-20,25H2,1-5H3,(H,47,56)
InChIKeyXIYDQISULZHTOC-UHFFFAOYSA-N
MW782.95 g/mol
LogP5.61
Rot. Bonds10

About N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166344543) has the molecular formula C43H50N12O3 and a molecular weight of 782.95 g/mol. Its IUPAC name is N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166344543
Molecular FormulaC43H50N12O3
Molecular Weight782.95 g/mol
Exact Mass782.41
IUPAC NameN-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCCC(CN(C)C(=O)c2cccc(C(=O)N3CCC(n4cc(-c5ccc(NC(=O)c6cnn7c(C)cc(C)nc67)cc5)nn4)CC3)c2)C1c1cnn(C)c1
InChIInChI=1S/C43H50N12O3/c1-6-52-18-8-11-33(39(52)34-23-44-51(5)26-34)25-50(4)42(57)31-9-7-10-32(22-31)43(58)53-19-16-36(17-20-53)54-27-38(48-49-54)30-12-14-35(15-13-30)47-41(56)37-24-45-55-29(3)21-28(2)46-40(37)55/h7,9-10,12-15,21-24,26-27,33,36,39H,6,8,11,16-20,25H2,1-5H3,(H,47,56)
InChIKeyXIYDQISULZHTOC-UHFFFAOYSA-N
XLogP5.61
TPSA151.68 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166344543) is N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCCC(CN(C)C(=O)c2cccc(C(=O)N3CCC(n4cc(-c5ccc(NC(=O)c6cnn7c(C)cc(C)nc67)cc5)nn4)CC3)c2)C1c1cnn(C)c1.
What is the InChIKey of N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XIYDQISULZHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N12O3/c1-6-52-18-8-11-33(39(52)34-23-44-51(5)26-34)25-50(4)42(57)31-9-7-10-32(22-31)43(58)53-19-16-36(17-20-53)54-27-38(48-49-54)30-12-14-35(15-13-30)47-41(56)37-24-45-55-29(3)21-28(2)46-40(37)55/h7,9-10,12-15,21-24,26-27,33,36,39H,6,8,11,16-20,25H2,1-5H3,(H,47,56).
What are the key properties of N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 782.95 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[1-[3-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylcarbamoyl]benzoyl]piperidin-4-yl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166344543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).