3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C13H16N6 — CID 106035609

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1cnn(C)c1C
InChIInChI=1S/C13H16N6/c1-8-4-5-15-12-11(8)17-13(14)19(12)7-10-6-16-18(3)9(10)2/h4-6H,7H2,1-3H3,(H2,14,17)
InChIKeyQRWSJKBMISSCMO-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.41
Rot. Bonds2

About 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 106035609) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID106035609
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1cnn(C)c1C
InChIInChI=1S/C13H16N6/c1-8-4-5-15-12-11(8)17-13(14)19(12)7-10-6-16-18(3)9(10)2/h4-6H,7H2,1-3H3,(H2,14,17)
InChIKeyQRWSJKBMISSCMO-UHFFFAOYSA-N
XLogP1.41
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 106035609) is 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2Cc1cnn(C)c1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is QRWSJKBMISSCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-8-4-5-15-12-11(8)17-13(14)19(12)7-10-6-16-18(3)9(10)2/h4-6H,7H2,1-3H3,(H2,14,17).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 106035609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).