1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

C19H18BrN5O2 — CID 56573423

IUPAC1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H18BrN5O2/c20-15-3-1-14(2-4-15)19(27)24-11-7-13(8-12-24)18(26)23-17-5-9-21-16-6-10-22-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,23,26)
InChIKeyHIIIJXRNRRJKRJ-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide

1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (PubChem CID 56573423) has the molecular formula C19H18BrN5O2 and a molecular weight of 428.29 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
PubChem CID56573423
Molecular FormulaC19H18BrN5O2
Molecular Weight428.29 g/mol
Exact Mass427.06
IUPAC Name1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H18BrN5O2/c20-15-3-1-14(2-4-15)19(27)24-11-7-13(8-12-24)18(26)23-17-5-9-21-16-6-10-22-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,23,26)
InChIKeyHIIIJXRNRRJKRJ-UHFFFAOYSA-N
XLogP2.98
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
1-(4-bromobenzoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26701574
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide (CID 56573423) is 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is O=C(Nc1ccnc2ccnn12)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
The InChIKey is HIIIJXRNRRJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O2/c20-15-3-1-14(2-4-15)19(27)24-11-7-13(8-12-24)18(26)23-17-5-9-21-16-6-10-22-25(16)17/h1-6,9-10,13H,7-8,11-12H2,(H,23,26).
What are the key properties of 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide is sourced from PubChem (CID 56573423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).