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

C18H14ClF2N3O — CID 68800281

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2cc(F)c(F)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H14ClF2N3O/c1-10-14-8-16(21)15(20)6-11(14)4-5-23(10)18(25)17-7-13-3-2-12(19)9-24(13)22-17/h2-3,6-10H,4-5H2,1H3
InChIKeyCLRXXYFBKLJPOC-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.03
Rot. Bonds1

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 68800281) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID68800281
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2cc(F)c(F)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1
InChIInChI=1S/C18H14ClF2N3O/c1-10-14-8-16(21)15(20)6-11(14)4-5-23(10)18(25)17-7-13-3-2-12(19)9-24(13)22-17/h2-3,6-10H,4-5H2,1H3
InChIKeyCLRXXYFBKLJPOC-UHFFFAOYSA-N
XLogP4.03
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 68800281) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1c2cc(F)c(F)cc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is CLRXXYFBKLJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-10-14-8-16(21)15(20)6-11(14)4-5-23(10)18(25)17-7-13-3-2-12(19)9-24(13)22-17/h2-3,6-10H,4-5H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 361.78 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(6,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 68800281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).