[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride

C18H23Cl2N5O — CID 89442837

IUPAC[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride
SMILESCc1ccc(-n2nc(N3CCOC(CN)C3)c3ccncc32)cc1.Cl.Cl
InChIInChI=1S/C18H21N5O.2ClH/c1-13-2-4-14(5-3-13)23-17-11-20-7-6-16(17)18(21-23)22-8-9-24-15(10-19)12-22;;/h2-7,11,15H,8-10,12,19H2,1H3;2*1H
InChIKeyOFHHRHBTULVBKZ-UHFFFAOYSA-N
MW396.32 g/mol
LogP2.74
Rot. Bonds3

About [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride

[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride (PubChem CID 89442837) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride
PubChem CID89442837
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC Name[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride
SMILESCc1ccc(-n2nc(N3CCOC(CN)C3)c3ccncc32)cc1.Cl.Cl
InChIInChI=1S/C18H21N5O.2ClH/c1-13-2-4-14(5-3-13)23-17-11-20-7-6-16(17)18(21-23)22-8-9-24-15(10-19)12-22;;/h2-7,11,15H,8-10,12,19H2,1H3;2*1H
InChIKeyOFHHRHBTULVBKZ-UHFFFAOYSA-N
XLogP2.74
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride (CID 89442837) is [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride is Cc1ccc(-n2nc(N3CCOC(CN)C3)c3ccncc32)cc1.Cl.Cl.
What is the InChIKey of [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride?
The InChIKey is OFHHRHBTULVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.2ClH/c1-13-2-4-14(5-3-13)23-17-11-20-7-6-16(17)18(21-23)22-8-9-24-15(10-19)12-22;;/h2-7,11,15H,8-10,12,19H2,1H3;2*1H.
What are the key properties of [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride?
[4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride has a molecular weight of 396.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 89442837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).