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

C15H15N7O2 — CID 56888278

IUPAC3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(NCCO)nc2[nH]ccc12
InChIInChI=1S/C15H15N7O2/c1-8-13(11-7-18-20-15(24)22(11)21-8)10-6-12(16-4-5-23)19-14-9(10)2-3-17-14/h2-3,6-7,23H,4-5H2,1H3,(H,20,24)(H2,16,17,19)
InChIKeyDFDVJFNPOKIOJX-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.67
Rot. Bonds4

About 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

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 (PubChem CID 56888278) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID56888278
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name3-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(NCCO)nc2[nH]ccc12
InChIInChI=1S/C15H15N7O2/c1-8-13(11-7-18-20-15(24)22(11)21-8)10-6-12(16-4-5-23)19-14-9(10)2-3-17-14/h2-3,6-7,23H,4-5H2,1H3,(H,20,24)(H2,16,17,19)
InChIKeyDFDVJFNPOKIOJX-UHFFFAOYSA-N
XLogP0.67
TPSA123.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
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1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
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CID 71736662
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
2-[4-[6-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 56891862
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N-[4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561871
2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 126449078
2-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
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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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn2c(=O)[nH]ncc2c1-c1cc(NCCO)nc2[nH]ccc12.
What is the InChIKey of 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?
The InChIKey is DFDVJFNPOKIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-8-13(11-7-18-20-15(24)22(11)21-8)10-6-12(16-4-5-23)19-14-9(10)2-3-17-14/h2-3,6-7,23H,4-5H2,1H3,(H,20,24)(H2,16,17,19).
What are the key properties of 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?
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 has a molecular weight of 325.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56888278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).