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

C19H24N8 — CID 155305237

IUPAC3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3ccn(C)c3)cc(-c3ncnn3C)nc12
InChIInChI=1S/C19H24N8/c1-12(2)27-18-15(20-9-14-6-7-25(4)10-14)8-16(19-21-11-22-26(19)5)23-17(18)13(3)24-27/h6-8,10-12H,9H2,1-5H3,(H,20,23)
InChIKeyXFUMOUGBVYWUFH-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.07
Rot. Bonds5

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

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155305237) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID155305237
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3ccn(C)c3)cc(-c3ncnn3C)nc12
InChIInChI=1S/C19H24N8/c1-12(2)27-18-15(20-9-14-6-7-25(4)10-14)8-16(19-21-11-22-26(19)5)23-17(18)13(3)24-27/h6-8,10-12H,9H2,1-5H3,(H,20,23)
InChIKeyXFUMOUGBVYWUFH-UHFFFAOYSA-N
XLogP3.07
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155305237) is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is Cc1nn(C(C)C)c2c(NCc3ccn(C)c3)cc(-c3ncnn3C)nc12.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is XFUMOUGBVYWUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-12(2)27-18-15(20-9-14-6-7-25(4)10-14)8-16(19-21-11-22-26(19)5)23-17(18)13(3)24-27/h6-8,10-12H,9H2,1-5H3,(H,20,23).
What are the key properties of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 364.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155305237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).