3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C17H18N6O4 — CID 56899180

IUPAC3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C17H18N6O4/c1-9-6-12(18-15-14(9)16(26)20-19-15)17(27)22-4-5-23-11(8-22)7-10(21-23)2-3-13(24)25/h6-7H,2-5,8H2,1H3,(H,24,25)(H2,18,19,20,26)
InChIKeyIXRIBEVUWNRSIX-UHFFFAOYSA-N
MW370.37 g/mol
LogP0.43
Rot. Bonds4

About 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56899180) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56899180
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCc1cc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C17H18N6O4/c1-9-6-12(18-15-14(9)16(26)20-19-15)17(27)22-4-5-23-11(8-22)7-10(21-23)2-3-13(24)25/h6-7H,2-5,8H2,1H3,(H,24,25)(H2,18,19,20,26)
InChIKeyIXRIBEVUWNRSIX-UHFFFAOYSA-N
XLogP0.43
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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4-methyl-6-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56899180) is 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is Cc1cc(C(=O)N2CCn3nc(CCC(=O)O)cc3C2)nc2[nH][nH]c(=O)c12.
What is the InChIKey of 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is IXRIBEVUWNRSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-9-6-12(18-15-14(9)16(26)20-19-15)17(27)22-4-5-23-11(8-22)7-10(21-23)2-3-13(24)25/h6-7H,2-5,8H2,1H3,(H,24,25)(H2,18,19,20,26).
What are the key properties of 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 370.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56899180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).