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

C24H22ClN5O3 — CID 68799143

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ncc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Cl)cn4n2)CC3)c(OC)n1
InChIInChI=1S/C24H22ClN5O3/c1-14-19-10-16(20-12-26-24(33-3)27-22(20)32-2)5-4-15(19)8-9-29(14)23(31)21-11-18-7-6-17(25)13-30(18)28-21/h4-7,10-14H,8-9H2,1-3H3
InChIKeyYBMHXXYECKKRBJ-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.22
Rot. Bonds4

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

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 68799143) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID68799143
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ncc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Cl)cn4n2)CC3)c(OC)n1
InChIInChI=1S/C24H22ClN5O3/c1-14-19-10-16(20-12-26-24(33-3)27-22(20)32-2)5-4-15(19)8-9-29(14)23(31)21-11-18-7-6-17(25)13-30(18)28-21/h4-7,10-14H,8-9H2,1-3H3
InChIKeyYBMHXXYECKKRBJ-UHFFFAOYSA-N
XLogP4.22
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 68799143) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-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)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ncc(-c2ccc3c(c2)C(C)N(C(=O)c2cc4ccc(Cl)cn4n2)CC3)c(OC)n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is YBMHXXYECKKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-14-19-10-16(20-12-26-24(33-3)27-22(20)32-2)5-4-15(19)8-9-29(14)23(31)21-11-18-7-6-17(25)13-30(18)28-21/h4-7,10-14H,8-9H2,1-3H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 463.93 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-[7-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 68799143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).