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

C22H25ClN4O — CID 68801749

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCN(CC)c1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C
InChIInChI=1S/C22H25ClN4O/c1-4-25(5-2)21-8-6-7-18-15(3)26(12-11-19(18)21)22(28)20-13-17-10-9-16(23)14-27(17)24-20/h6-10,13-15H,4-5,11-12H2,1-3H3
InChIKeySWHIRTDHGCHUED-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.59
Rot. Bonds4

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 68801749) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID68801749
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCCN(CC)c1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C
InChIInChI=1S/C22H25ClN4O/c1-4-25(5-2)21-8-6-7-18-15(3)26(12-11-19(18)21)22(28)20-13-17-10-9-16(23)14-27(17)24-20/h6-10,13-15H,4-5,11-12H2,1-3H3
InChIKeySWHIRTDHGCHUED-UHFFFAOYSA-N
XLogP4.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801662
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 87675194
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[8-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875859
(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68800895
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801737
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68801845
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone
CID 68801185
CID 89154623
CID 89154623
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68802157
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
CID 68801842
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68799143

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 68801749) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CCN(CC)c1cccc2c1CCN(C(=O)c1cc3ccc(Cl)cn3n1)C2C.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is SWHIRTDHGCHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-4-25(5-2)21-8-6-7-18-15(3)26(12-11-19(18)21)22(28)20-13-17-10-9-16(23)14-27(17)24-20/h6-10,13-15H,4-5,11-12H2,1-3H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[5-(diethylamino)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 68801749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).