tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

C24H29N7O2 — CID 91408135

IUPACtert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(N)n3ncc(C4=Cc5ccccc5NC4)c3n2)CC1
InChIInChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-13-20(25)31-22(28-21)18(15-27-31)17-12-16-6-4-5-7-19(16)26-14-17/h4-7,12-13,15,26H,8-11,14,25H2,1-3H3
InChIKeyQYLZNWKZVLODAU-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate

tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (PubChem CID 91408135) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
PubChem CID91408135
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Nametert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(N)n3ncc(C4=Cc5ccccc5NC4)c3n2)CC1
InChIInChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-13-20(25)31-22(28-21)18(15-27-31)17-12-16-6-4-5-7-19(16)26-14-17/h4-7,12-13,15,26H,8-11,14,25H2,1-3H3
InChIKeyQYLZNWKZVLODAU-UHFFFAOYSA-N
XLogP3.33
TPSA101.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Riociguat
CID 11304743
Nelociguat
CID 11690019
Pyrazolo pyrimidine, 18
CID 25261231
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 72163809
N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 15965424
Wye-354
CID 44219749
1-methyl-3-(4-(4-morpholino-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44232918
Pyrazolo pyrimidine, 14
CID 44233161
Pyrazolo pyrimidine, 16
CID 44233163
tert-Butyl 4-(6-(4-aminophenyl)-4-morpholino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 44605037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate (CID 91408135) is tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(N)n3ncc(C4=Cc5ccccc5NC4)c3n2)CC1.
What is the InChIKey of tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
The InChIKey is QYLZNWKZVLODAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-13-20(25)31-22(28-21)18(15-27-31)17-12-16-6-4-5-7-19(16)26-14-17/h4-7,12-13,15,26H,8-11,14,25H2,1-3H3.
What are the key properties of tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate?
tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-amino-3-(1,2-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 91408135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).