1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine

C18H20Cl2N4 — CID 87016149

IUPAC1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine
SMILESCc1nn(C)c2ncc(CN(C)C(C)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C18H20Cl2N4/c1-11-16-7-13(9-21-18(16)24(4)22-11)10-23(3)12(2)15-6-5-14(19)8-17(15)20/h5-9,12H,10H2,1-4H3
InChIKeyMCSLFILOKYVGHT-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.78
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine

1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine (PubChem CID 87016149) has the molecular formula C18H20Cl2N4 and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine
PubChem CID87016149
Molecular FormulaC18H20Cl2N4
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine
SMILESCc1nn(C)c2ncc(CN(C)C(C)c3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C18H20Cl2N4/c1-11-16-7-13(9-21-18(16)24(4)22-11)10-23(3)12(2)15-6-5-14(19)8-17(15)20/h5-9,12H,10H2,1-4H3
InChIKeyMCSLFILOKYVGHT-UHFFFAOYSA-N
XLogP4.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine (CID 87016149) is 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine is Cc1nn(C)c2ncc(CN(C)C(C)c3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine?
The InChIKey is MCSLFILOKYVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4/c1-11-16-7-13(9-21-18(16)24(4)22-11)10-23(3)12(2)15-6-5-14(19)8-17(15)20/h5-9,12H,10H2,1-4H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine?
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine has a molecular weight of 363.29 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 87016149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).