2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol

C23H27BrN6O — CID 70217288

IUPAC2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nc3c(C4C=Nc5ccccc5C4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C23H27BrN6O/c1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15/h3-6,12-13,15-16,31H,7-11,25H2,1-2H3
InChIKeyPQAKIEXRMACBPL-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.10
Rot. Bonds3

About 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol

2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol (PubChem CID 70217288) has the molecular formula C23H27BrN6O and a molecular weight of 483.41 g/mol. Its IUPAC name is 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol
PubChem CID70217288
Molecular FormulaC23H27BrN6O
Molecular Weight483.41 g/mol
Exact Mass482.14
IUPAC Name2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(c2nc3c(C4C=Nc5ccccc5C4)cnn3c(N)c2Br)CC1
InChIInChI=1S/C23H27BrN6O/c1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15/h3-6,12-13,15-16,31H,7-11,25H2,1-2H3
InChIKeyPQAKIEXRMACBPL-UHFFFAOYSA-N
XLogP4.10
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

Samuraciclib
CID 91844733
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-3,4-diol
CID 118329742
(3S,4S)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol
CID 137349544
3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11429096
N-[[2-(dimethylamino)phenyl]methyl]-2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 71731769
5-Methyl-7-(4-methylpiperidin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 665332
5-Methyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 665847
1-(4-(7-Amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-p-tolylurea
CID 24894181
3-bromo-5-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 137655075
3-Phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224555
(3R,4R)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol
CID 156019441
5-isopropyl-N-(3-morpholinopropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4904515

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol (CID 70217288) is 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(c2nc3c(C4C=Nc5ccccc5C4)cnn3c(N)c2Br)CC1.
What is the InChIKey of 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol?
The InChIKey is PQAKIEXRMACBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6O/c1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15/h3-6,12-13,15-16,31H,7-11,25H2,1-2H3.
What are the key properties of 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol?
2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol has a molecular weight of 483.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-amino-6-bromo-3-(3,4-dihydroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 70217288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).