6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

C17H22N6 — CID 125012175

IUPAC6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc([C@H]3CCCN(Cc4ncc[nH]4)C3)ccc12
InChIInChI=1S/C17H22N6/c1-12-14-5-6-15(20-17(14)22(2)21-12)13-4-3-9-23(10-13)11-16-18-7-8-19-16/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyVVPFGDIHRMDSBD-ZDUSSCGKSA-N
MW310.41 g/mol
LogP2.38
Rot. Bonds3

About 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 125012175) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID125012175
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc([C@H]3CCCN(Cc4ncc[nH]4)C3)ccc12
InChIInChI=1S/C17H22N6/c1-12-14-5-6-15(20-17(14)22(2)21-12)13-4-3-9-23(10-13)11-16-18-7-8-19-16/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyVVPFGDIHRMDSBD-ZDUSSCGKSA-N
XLogP2.38
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 125012175) is 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is Cc1nn(C)c2nc([C@H]3CCCN(Cc4ncc[nH]4)C3)ccc12.
What is the InChIKey of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is VVPFGDIHRMDSBD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-14-5-6-15(20-17(14)22(2)21-12)13-4-3-9-23(10-13)11-16-18-7-8-19-16/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 310.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 125012175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).