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

C19H18ClN3O2 — CID 68801742

IUPAC(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1cc(Cl)cn2nc(C(=O)N3CCc4ccccc4[C@H]3C)cc12
InChIInChI=1S/C19H18ClN3O2/c1-12-15-6-4-3-5-13(15)7-8-22(12)19(24)16-10-17-18(25-2)9-14(20)11-23(17)21-16/h3-6,9-12H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyKAXJZUICYQRFHD-GFCCVEGCSA-N
MW355.83 g/mol
LogP3.76
Rot. Bonds2

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

(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 68801742) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID68801742
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1cc(Cl)cn2nc(C(=O)N3CCc4ccccc4[C@H]3C)cc12
InChIInChI=1S/C19H18ClN3O2/c1-12-15-6-4-3-5-13(15)7-8-22(12)19(24)16-10-17-18(25-2)9-14(20)11-23(17)21-16/h3-6,9-12H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyKAXJZUICYQRFHD-GFCCVEGCSA-N
XLogP3.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68801354
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
CID 68801936
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68801662
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl)methanone
CID 24810367
[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 8016137
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68800281
(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146596366
(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-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416346
(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
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801737

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 68801742) is (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1cc(Cl)cn2nc(C(=O)N3CCc4ccccc4[C@H]3C)cc12.
What is the InChIKey of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is KAXJZUICYQRFHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-15-6-4-3-5-13(15)7-8-22(12)19(24)16-10-17-18(25-2)9-14(20)11-23(17)21-16/h3-6,9-12H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 355.83 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 68801742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).