N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

C15H23Cl2N5O — CID 119565979

IUPACN-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)NC3(CN)CCCC3)cc12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10-12-7-11(8-17-13(12)20(2)19-10)14(21)18-15(9-16)5-3-4-6-15;;/h7-8H,3-6,9,16H2,1-2H3,(H,18,21);2*1H
InChIKeyALUVJRZPZFYHRN-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.12
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119565979) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119565979
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)NC3(CN)CCCC3)cc12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10-12-7-11(8-17-13(12)20(2)19-10)14(21)18-15(9-16)5-3-4-6-15;;/h7-8H,3-6,9,16H2,1-2H3,(H,18,21);2*1H
InChIKeyALUVJRZPZFYHRN-UHFFFAOYSA-N
XLogP2.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119565979) is N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1nn(C)c2ncc(C(=O)NC3(CN)CCCC3)cc12.Cl.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is ALUVJRZPZFYHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-10-12-7-11(8-17-13(12)20(2)19-10)14(21)18-15(9-16)5-3-4-6-15;;/h7-8H,3-6,9,16H2,1-2H3,(H,18,21);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119565979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).