N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N10O2 — CID 144773752

IUPACN-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1C=NC(n2nc(N3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)=CC1
InChIInChI=1S/C22H26N10O2/c1-15-3-4-18(25-12-15)32-19(27-22(34)16-13-26-31-6-2-5-24-21(16)31)11-20(28-32)30-9-7-29(8-10-30)14-17(23)33/h2,4-6,11-13,15H,3,7-10,14H2,1H3,(H2,23,33)(H,27,34)
InChIKeyYIWUIQWJJFAPQJ-UHFFFAOYSA-N
MW462.52 g/mol
LogP0.69
Rot. Bonds6

About N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144773752) has the molecular formula C22H26N10O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144773752
Molecular FormulaC22H26N10O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC NameN-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1C=NC(n2nc(N3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)=CC1
InChIInChI=1S/C22H26N10O2/c1-15-3-4-18(25-12-15)32-19(27-22(34)16-13-26-31-6-2-5-24-21(16)31)11-20(28-32)30-9-7-29(8-10-30)14-17(23)33/h2,4-6,11-13,15H,3,7-10,14H2,1H3,(H2,23,33)(H,27,34)
InChIKeyYIWUIQWJJFAPQJ-UHFFFAOYSA-N
XLogP0.69
TPSA139.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[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-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144773752) is N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1C=NC(n2nc(N3CCN(CC(N)=O)CC3)cc2NC(=O)c2cnn3cccnc23)=CC1.
What is the InChIKey of N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YIWUIQWJJFAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N10O2/c1-15-3-4-18(25-12-15)32-19(27-22(34)16-13-26-31-6-2-5-24-21(16)31)11-20(28-32)30-9-7-29(8-10-30)14-17(23)33/h2,4-6,11-13,15H,3,7-10,14H2,1H3,(H2,23,33)(H,27,34).
What are the key properties of N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).