N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25BrN8O2 — CID 66555790

IUPACN-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cc(Br)cnc23)cc1
InChIInChI=1S/C24H25BrN8O2/c1-15-2-4-18(5-3-15)33-22(10-20(30-33)16-6-8-31(9-7-16)14-21(26)34)29-24(35)19-12-28-32-13-17(25)11-27-23(19)32/h2-5,10-13,16H,6-9,14H2,1H3,(H2,26,34)(H,29,35)
InChIKeyOADZOAXXFZOTEI-UHFFFAOYSA-N
MW537.42 g/mol
LogP2.90
Rot. Bonds6

About N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555790) has the molecular formula C24H25BrN8O2 and a molecular weight of 537.42 g/mol. Its IUPAC name is N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555790
Molecular FormulaC24H25BrN8O2
Molecular Weight537.42 g/mol
Exact Mass536.13
IUPAC NameN-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cc(Br)cnc23)cc1
InChIInChI=1S/C24H25BrN8O2/c1-15-2-4-18(5-3-15)33-22(10-20(30-33)16-6-8-31(9-7-16)14-21(26)34)29-24(35)19-12-28-32-13-17(25)11-27-23(19)32/h2-5,10-13,16H,6-9,14H2,1H3,(H2,26,34)(H,29,35)
InChIKeyOADZOAXXFZOTEI-UHFFFAOYSA-N
XLogP2.90
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555790) is N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(C3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cc(Br)cnc23)cc1.
What is the InChIKey of N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OADZOAXXFZOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN8O2/c1-15-2-4-18(5-3-15)33-22(10-20(30-33)16-6-8-31(9-7-16)14-21(26)34)29-24(35)19-12-28-32-13-17(25)11-27-23(19)32/h2-5,10-13,16H,6-9,14H2,1H3,(H2,26,34)(H,29,35).
What are the key properties of N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 537.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]-6-bromopyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).