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

C56H51Br2Cl2N9O3 — CID 87675194

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2cc(Cl)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.Cc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2.Cc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C
InChIInChI=1S/2C19H18BrN3O.C18H15Cl2N3O/c1-12-3-4-14-7-8-22(13(2)17(14)9-12)19(24)18-10-16-6-5-15(20)11-23(16)21-18;1-12-4-3-5-17-13(2)22(9-8-16(12)17)19(24)18-10-15-7-6-14(20)11-23(15)21-18;1-11-16-8-13(19)3-2-12(16)6-7-22(11)18(24)17-9-15-5-4-14(20)10-23(15)21-17/h3-6,9-11,13H,7-8H2,1-2H3;3-7,10-11,13H,8-9H2,1-2H3;2-5,8-11H,6-7H2,1H3
InChIKeyYMRLCAASSSPXLW-UHFFFAOYSA-N
MW1128.80 g/mol
LogP12.73
Rot. Bonds3

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

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 87675194) has the molecular formula C56H51Br2Cl2N9O3 and a molecular weight of 1128.80 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID87675194
Molecular FormulaC56H51Br2Cl2N9O3
Molecular Weight1128.80 g/mol
Exact Mass1125.19
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCC1c2cc(Cl)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.Cc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2.Cc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C
InChIInChI=1S/2C19H18BrN3O.C18H15Cl2N3O/c1-12-3-4-14-7-8-22(13(2)17(14)9-12)19(24)18-10-16-6-5-15(20)11-23(16)21-18;1-12-4-3-5-17-13(2)22(9-8-16(12)17)19(24)18-10-15-7-6-14(20)11-23(15)21-18;1-11-16-8-13(19)3-2-12(16)6-7-22(11)18(24)17-9-15-5-4-14(20)10-23(15)21-17/h3-6,9-11,13H,7-8H2,1-2H3;3-7,10-11,13H,8-9H2,1-2H3;2-5,8-11H,6-7H2,1H3
InChIKeyYMRLCAASSSPXLW-UHFFFAOYSA-N
XLogP12.73
TPSA112.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001128.80
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 87675194) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is CC1c2cc(Cl)ccc2CCN1C(=O)c1cc2ccc(Cl)cn2n1.Cc1ccc2c(c1)C(C)N(C(=O)c1cc3ccc(Br)cn3n1)CC2.Cc1cccc2c1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2C.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is YMRLCAASSSPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H18BrN3O.C18H15Cl2N3O/c1-12-3-4-14-7-8-22(13(2)17(14)9-12)19(24)18-10-16-6-5-15(20)11-23(16)21-18;1-12-4-3-5-17-13(2)22(9-8-16(12)17)19(24)18-10-15-7-6-14(20)11-23(15)21-18;1-11-16-8-13(19)3-2-12(16)6-7-22(11)18(24)17-9-15-5-4-14(20)10-23(15)21-17/h3-6,9-11,13H,7-8H2,1-2H3;3-7,10-11,13H,8-9H2,1-2H3;2-5,8-11H,6-7H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 1128.80 g/mol, XLogP of 12.73, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,5-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1,7-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 87675194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).