4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid

C18H26N4O4 — CID 119357388

IUPAC4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
SMILESCc1nc2c(c(C)c1CCC(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]n2C
InChIInChI=1S/C18H26N4O4/c1-10-12(11(2)19-16-15(10)17(26)21-22(16)5)6-7-13(23)20-18(3,4)9-8-14(24)25/h6-9H2,1-5H3,(H,20,23)(H,21,26)(H,24,25)
InChIKeyQMFWAXDQISYHNC-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.57
Rot. Bonds7

About 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid

4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid (PubChem CID 119357388) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
PubChem CID119357388
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid
SMILESCc1nc2c(c(C)c1CCC(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]n2C
InChIInChI=1S/C18H26N4O4/c1-10-12(11(2)19-16-15(10)17(26)21-22(16)5)6-7-13(23)20-18(3,4)9-8-14(24)25/h6-9H2,1-5H3,(H,20,23)(H,21,26)(H,24,25)
InChIKeyQMFWAXDQISYHNC-UHFFFAOYSA-N
XLogP1.57
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid (CID 119357388) is 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid is Cc1nc2c(c(C)c1CCC(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]n2C.
What is the InChIKey of 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid?
The InChIKey is QMFWAXDQISYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-10-12(11(2)19-16-15(10)17(26)21-22(16)5)6-7-13(23)20-18(3,4)9-8-14(24)25/h6-9H2,1-5H3,(H,20,23)(H,21,26)(H,24,25).
What are the key properties of 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid?
4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid has a molecular weight of 362.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 119357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).