(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C21H17ClN4O2 — CID 66875846

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2cc(-c3ccoc3)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C21H17ClN4O2/c1-13-18-8-15(16-5-7-28-12-16)3-2-14(18)4-6-25(13)21(27)19-9-20-23-10-17(22)11-26(20)24-19/h2-3,5,7-13H,4,6H2,1H3
InChIKeyCDMHUHCKKGJDOX-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.40
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 66875846) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID66875846
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2cc(-c3ccoc3)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C21H17ClN4O2/c1-13-18-8-15(16-5-7-28-12-16)3-2-14(18)4-6-25(13)21(27)19-9-20-23-10-17(22)11-26(20)24-19/h2-3,5,7-13H,4,6H2,1H3
InChIKeyCDMHUHCKKGJDOX-UHFFFAOYSA-N
XLogP4.40
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[5-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66876705
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875859
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-ethyl-7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810470
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24811824
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 59663077
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897014
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-8-(5-methyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875840

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 66875846) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CC1c2cc(-c3ccoc3)ccc2CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is CDMHUHCKKGJDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13-18-8-15(16-5-7-28-12-16)3-2-14(18)4-6-25(13)21(27)19-9-20-23-10-17(22)11-26(20)24-19/h2-3,5,7-13H,4,6H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 392.85 g/mol, XLogP of 4.40, 2 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)-[7-(furan-3-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 66875846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).