N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C12H14N6 — CID 62761757

IUPACN-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cnc[nH]3)cc12
InChIInChI=1S/C12H14N6/c1-8-11-3-9(5-15-12(11)18(2)17-8)14-6-10-4-13-7-16-10/h3-5,7,14H,6H2,1-2H3,(H,13,16)
InChIKeySLNHFQYPZUPVTI-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.61
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 62761757) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID62761757
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cnc[nH]3)cc12
InChIInChI=1S/C12H14N6/c1-8-11-3-9(5-15-12(11)18(2)17-8)14-6-10-4-13-7-16-10/h3-5,7,14H,6H2,1-2H3,(H,13,16)
InChIKeySLNHFQYPZUPVTI-UHFFFAOYSA-N
XLogP1.61
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 62761757) is N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCc3cnc[nH]3)cc12.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is SLNHFQYPZUPVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-8-11-3-9(5-15-12(11)18(2)17-8)14-6-10-4-13-7-16-10/h3-5,7,14H,6H2,1-2H3,(H,13,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 242.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 62761757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).