2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

C19H16N8O — CID 56905136

IUPAC2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C19H16N8O/c1-11-17(15-10-23-25-19(28)27(15)26-11)14-8-16(24-18-13(14)4-7-21-18)22-9-12-2-5-20-6-3-12/h2-8,10H,9H2,1H3,(H,25,28)(H2,21,22,24)
InChIKeyRDWYPYZYQXXWJX-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 56905136) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID56905136
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(NCc2ccncc2)nc2[nH]ccc12
InChIInChI=1S/C19H16N8O/c1-11-17(15-10-23-25-19(28)27(15)26-11)14-8-16(24-18-13(14)4-7-21-18)22-9-12-2-5-20-6-3-12/h2-8,10H,9H2,1H3,(H,25,28)(H2,21,22,24)
InChIKeyRDWYPYZYQXXWJX-UHFFFAOYSA-N
XLogP2.28
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one with MolForge

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Related Compounds

3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 56888278
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926
4-[4-(imidazol-1-ylmethyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70716202
4-(4-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70754705
4-[4-(1,3,4-oxadiazol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70758658
2-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167880529
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898
2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 71736662
4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56884296
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
N-benzyl-4-ethyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 146338738
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (CID 56905136) is 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.
What is the SMILES notation for 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is Cc1nn2c(=O)[nH]ncc2c1-c1cc(NCc2ccncc2)nc2[nH]ccc12.
What is the InChIKey of 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is RDWYPYZYQXXWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c1-11-17(15-10-23-25-19(28)27(15)26-11)14-8-16(24-18-13(14)4-7-21-18)22-9-12-2-5-20-6-3-12/h2-8,10H,9H2,1H3,(H,25,28)(H2,21,22,24).
What are the key properties of 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 372.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-(pyridin-4-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 56905136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).