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

C22H18ClN3O2 — CID 68801737

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2ccc(-c3ccco3)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C22H18ClN3O2/c1-14-19-7-4-16(21-3-2-10-28-21)11-15(19)8-9-25(14)22(27)20-12-18-6-5-17(23)13-26(18)24-20/h2-7,10-14H,8-9H2,1H3
InChIKeyQNSWYVZGIKUVNQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.01
Rot. Bonds2

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 68801737) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID68801737
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC1c2ccc(-c3ccco3)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C22H18ClN3O2/c1-14-19-7-4-16(21-3-2-10-28-21)11-15(19)8-9-25(14)22(27)20-12-18-6-5-17(23)13-26(18)24-20/h2-7,10-14H,8-9H2,1H3
InChIKeyQNSWYVZGIKUVNQ-UHFFFAOYSA-N
XLogP5.01
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2E)-3-(2-furyl)-2-methyl-2-propen-1-yl]-1-(2-phenylethyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26136700
5-[(6-Chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
2-methyl-5-[[3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3H-isoindol-1-one
CID 177374968
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 68799064
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26133015
[4-(3-Chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 58404699
1-[4-(3-Chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-3-(furan-2-yl)propan-1-one
CID 58404873
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(6-furan-2-yl-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
CID 58416363
2-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 59484255
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875345
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-6,8-dihydro-5H-furo[3,2-g]isoquinolin-7-yl)methanone
CID 66875401
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 66875592

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 68801737) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CC1c2ccc(-c3ccco3)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is QNSWYVZGIKUVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14-19-7-4-16(21-3-2-10-28-21)11-15(19)8-9-25(14)22(27)20-12-18-6-5-17(23)13-26(18)24-20/h2-7,10-14H,8-9H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 391.86 g/mol, XLogP of 5.01, 2 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)-[6-(furan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 68801737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).