3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C20H24N6O — CID 155773327

IUPAC3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1coc(-c2cc(NCc3cnn(C)c3)c3c(n2)c(C)nn3C(C)C)c1
InChIInChI=1S/C20H24N6O/c1-12(2)26-20-17(21-8-15-9-22-25(5)10-15)7-16(18-6-13(3)11-27-18)23-19(20)14(4)24-26/h6-7,9-12H,8H2,1-5H3,(H,21,23)
InChIKeyOYRCQYGRHVDJSB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.23
Rot. Bonds5

About 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155773327) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID155773327
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1coc(-c2cc(NCc3cnn(C)c3)c3c(n2)c(C)nn3C(C)C)c1
InChIInChI=1S/C20H24N6O/c1-12(2)26-20-17(21-8-15-9-22-25(5)10-15)7-16(18-6-13(3)11-27-18)23-19(20)14(4)24-26/h6-7,9-12H,8H2,1-5H3,(H,21,23)
InChIKeyOYRCQYGRHVDJSB-UHFFFAOYSA-N
XLogP4.23
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155773327) is 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is Cc1coc(-c2cc(NCc3cnn(C)c3)c3c(n2)c(C)nn3C(C)C)c1.
What is the InChIKey of 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is OYRCQYGRHVDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12(2)26-20-17(21-8-15-9-22-25(5)10-15)7-16(18-6-13(3)11-27-18)23-19(20)14(4)24-26/h6-7,9-12H,8H2,1-5H3,(H,21,23).
What are the key properties of 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 364.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylfuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155773327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).