(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C19H17ClFN3O2 — CID 68799064

IUPAC(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(Cl)cn2nc(C(=O)N3CCc4ccc(F)cc4C3C)cc12
InChIInChI=1S/C19H17ClFN3O2/c1-11-15-8-14(21)4-3-12(15)5-6-23(11)19(25)16-9-17-18(26-2)7-13(20)10-24(17)22-16/h3-4,7-11H,5-6H2,1-2H3
InChIKeyYRTYXLOWPNCLDF-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.89
Rot. Bonds2

About (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 68799064) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID68799064
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(Cl)cn2nc(C(=O)N3CCc4ccc(F)cc4C3C)cc12
InChIInChI=1S/C19H17ClFN3O2/c1-11-15-8-14(21)4-3-12(15)5-6-23(11)19(25)16-9-17-18(26-2)7-13(20)10-24(17)22-16/h3-4,7-11H,5-6H2,1-2H3
InChIKeyYRTYXLOWPNCLDF-UHFFFAOYSA-N
XLogP3.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 68799064) is (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-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)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1cc(Cl)cn2nc(C(=O)N3CCc4ccc(F)cc4C3C)cc12.
What is the InChIKey of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YRTYXLOWPNCLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-11-15-8-14(21)4-3-12(15)5-6-23(11)19(25)16-9-17-18(26-2)7-13(20)10-24(17)22-16/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of (6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 373.82 g/mol, XLogP of 3.89, 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)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 68799064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).