3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid

C26H32N6O3 — CID 134501149

IUPAC3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cncc(N2CCOCC2)c1)n1nccc1CCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C26H32N6O3/c33-25(34)16-24(20-15-23(18-27-17-20)31-11-13-35-14-12-31)32-22(8-10-29-32)5-1-4-21-7-6-19-3-2-9-28-26(19)30-21/h6-8,10,15,17-18,24H,1-5,9,11-14,16H2,(H,28,30)(H,33,34)
InChIKeyWEUQFTALWGFGGZ-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.11
Rot. Bonds9

About 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid

3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid (PubChem CID 134501149) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
PubChem CID134501149
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cncc(N2CCOCC2)c1)n1nccc1CCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C26H32N6O3/c33-25(34)16-24(20-15-23(18-27-17-20)31-11-13-35-14-12-31)32-22(8-10-29-32)5-1-4-21-7-6-19-3-2-9-28-26(19)30-21/h6-8,10,15,17-18,24H,1-5,9,11-14,16H2,(H,28,30)(H,33,34)
InChIKeyWEUQFTALWGFGGZ-UHFFFAOYSA-N
XLogP3.11
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic 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 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid (CID 134501149) is 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid is O=C(O)CC(c1cncc(N2CCOCC2)c1)n1nccc1CCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
The InChIKey is WEUQFTALWGFGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c33-25(34)16-24(20-15-23(18-27-17-20)31-11-13-35-14-12-31)32-22(8-10-29-32)5-1-4-21-7-6-19-3-2-9-28-26(19)30-21/h6-8,10,15,17-18,24H,1-5,9,11-14,16H2,(H,28,30)(H,33,34).
What are the key properties of 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid?
3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid has a molecular weight of 476.58 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-morpholin-4-yl-3-pyridinyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 134501149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).