4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C17H20N6O3 — CID 91765436

IUPAC4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCn4nc(C(C)O)cc4C3)c12
InChIInChI=1S/C17H20N6O3/c1-9-14-15(12(17(25)26)7-18-16(14)21(3)19-9)22-4-5-23-11(8-22)6-13(20-23)10(2)24/h6-7,10,24H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyITOCUCJWROZXDS-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.24
Rot. Bonds3

About 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 91765436) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID91765436
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C)c2ncc(C(=O)O)c(N3CCn4nc(C(C)O)cc4C3)c12
InChIInChI=1S/C17H20N6O3/c1-9-14-15(12(17(25)26)7-18-16(14)21(3)19-9)22-4-5-23-11(8-22)6-13(20-23)10(2)24/h6-7,10,24H,4-5,8H2,1-3H3,(H,25,26)
InChIKeyITOCUCJWROZXDS-UHFFFAOYSA-N
XLogP1.24
TPSA109.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 91765436) is 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C)c2ncc(C(=O)O)c(N3CCn4nc(C(C)O)cc4C3)c12.
What is the InChIKey of 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is ITOCUCJWROZXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-9-14-15(12(17(25)26)7-18-16(14)21(3)19-9)22-4-5-23-11(8-22)6-13(20-23)10(2)24/h6-7,10,24H,4-5,8H2,1-3H3,(H,25,26).
What are the key properties of 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 356.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 91765436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).