(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C17H27Cl2N5O — CID 119645490

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-4-18-10-13-5-7-22(8-6-13)17(23)14-9-15-12(2)20-21(3)16(15)19-11-14;;/h9,11,13,18H,4-8,10H2,1-3H3;2*1H
InChIKeyMYQGINIGOSILEJ-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.58
Rot. Bonds4

About (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119645490) has the molecular formula C17H27Cl2N5O and a molecular weight of 388.34 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119645490
Molecular FormulaC17H27Cl2N5O
Molecular Weight388.34 g/mol
Exact Mass387.16
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.Cl.Cl
InChIInChI=1S/C17H25N5O.2ClH/c1-4-18-10-13-5-7-22(8-6-13)17(23)14-9-15-12(2)20-21(3)16(15)19-11-14;;/h9,11,13,18H,4-8,10H2,1-3H3;2*1H
InChIKeyMYQGINIGOSILEJ-UHFFFAOYSA-N
XLogP2.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119645490) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CCNCC1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.Cl.Cl.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is MYQGINIGOSILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.2ClH/c1-4-18-10-13-5-7-22(8-6-13)17(23)14-9-15-12(2)20-21(3)16(15)19-11-14;;/h9,11,13,18H,4-8,10H2,1-3H3;2*1H.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119645490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).