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

C27H24F3N3O — CID 162773849

IUPAC[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCc4ccc(F)cc4C3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C27H24F3N3O/c1-15(2)26-20(27(34)32-12-11-17-7-8-19(28)13-18(17)14-32)9-10-23-24(16(3)31-33(23)26)25-21(29)5-4-6-22(25)30/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyLXXOOUOGQHBQKC-UHFFFAOYSA-N
MW463.50 g/mol
LogP6.05
Rot. Bonds3

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

[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 162773849) has the molecular formula C27H24F3N3O and a molecular weight of 463.50 g/mol. Its IUPAC name is [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID162773849
Molecular FormulaC27H24F3N3O
Molecular Weight463.50 g/mol
Exact Mass463.19
IUPAC Name[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCc4ccc(F)cc4C3)ccc2c1-c1c(F)cccc1F
InChIInChI=1S/C27H24F3N3O/c1-15(2)26-20(27(34)32-12-11-17-7-8-19(28)13-18(17)14-32)9-10-23-24(16(3)31-33(23)26)25-21(29)5-4-6-22(25)30/h4-10,13,15H,11-12,14H2,1-3H3
InChIKeyLXXOOUOGQHBQKC-UHFFFAOYSA-N
XLogP6.05
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 162773985
3-(2,6-difluorophenyl)-2-methyl-N-(4-methyloxan-4-yl)-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773874
3-(2,6-difluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773976
3-(2,6-difluorophenyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773967
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
3-(2,6-difluorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773965
(2-fluorophenyl)-[7-(1-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 82175783
3-(2,6-difluorophenyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973079
3-(2,6-difluorophenyl)-2-methyl-N-[4-(4-methylphenyl)oxan-4-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773884
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
(4-bromo-2-fluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24696867

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 162773849) is [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1nn2c(C(C)C)c(C(=O)N3CCc4ccc(F)cc4C3)ccc2c1-c1c(F)cccc1F.
What is the InChIKey of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is LXXOOUOGQHBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O/c1-15(2)26-20(27(34)32-12-11-17-7-8-19(28)13-18(17)14-32)9-10-23-24(16(3)31-33(23)26)25-21(29)5-4-6-22(25)30/h4-10,13,15H,11-12,14H2,1-3H3.
What are the key properties of [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 463.50 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridin-6-yl]-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 162773849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).