(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

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Related Compounds

2-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 975205
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
[5-(4-Chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 1113965
3-(3-chlorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 44524414
N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243054
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 663834
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 665225
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
10-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
CID 3240633
[5-(4-Fluorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[2-(3-pyridinyl)-1-piperidinyl]methanone
CID 4917700
6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980953

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).