(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C21H24ClN5O — CID 66875859

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCN(CC)c1cccc2c1C(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C21H24ClN5O/c1-4-25(5-2)18-8-6-7-15-9-10-26(14(3)20(15)18)21(28)17-11-19-23-12-16(22)13-27(19)24-17/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyFGYLLKZUMKSIOI-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.99
Rot. Bonds4

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 66875859) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID66875859
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCN(CC)c1cccc2c1C(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C21H24ClN5O/c1-4-25(5-2)18-8-6-7-15-9-10-26(14(3)20(15)18)21(28)17-11-19-23-12-16(22)13-27(19)24-17/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyFGYLLKZUMKSIOI-UHFFFAOYSA-N
XLogP3.99
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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 (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 66875859) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CCN(CC)c1cccc2c1C(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is FGYLLKZUMKSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-4-25(5-2)18-8-6-7-15-9-10-26(14(3)20(15)18)21(28)17-11-19-23-12-16(22)13-27(19)24-17/h6-8,11-14H,4-5,9-10H2,1-3H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 397.91 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 66875859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).