3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

C31H33N7O4 — CID 134498337

IUPAC3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(cnn2C2CCCCO2)c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C31H33N7O4/c39-29(40)16-27(21-14-23-19-35-38(31(23)33-17-21)28-5-1-2-12-42-28)37-26-9-8-25(15-22(26)18-34-37)41-13-10-24-7-6-20-4-3-11-32-30(20)36-24/h6-9,14-15,17-19,27-28H,1-5,10-13,16H2,(H,32,36)(H,39,40)
InChIKeyCVYLAKIKCZLOHC-UHFFFAOYSA-N
MW567.65 g/mol
LogP4.92
Rot. Bonds9

About 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid

3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 134498337) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
PubChem CID134498337
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC Name3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cnc2c(cnn2C2CCCCO2)c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C31H33N7O4/c39-29(40)16-27(21-14-23-19-35-38(31(23)33-17-21)28-5-1-2-12-42-28)37-26-9-8-25(15-22(26)18-34-37)41-13-10-24-7-6-20-4-3-11-32-30(20)36-24/h6-9,14-15,17-19,27-28H,1-5,10-13,16H2,(H,32,36)(H,39,40)
InChIKeyCVYLAKIKCZLOHC-UHFFFAOYSA-N
XLogP4.92
TPSA129.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-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-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 134498337) is 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is O=C(O)CC(c1cnc2c(cnn2C2CCCCO2)c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The InChIKey is CVYLAKIKCZLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O4/c39-29(40)16-27(21-14-23-19-35-38(31(23)33-17-21)28-5-1-2-12-42-28)37-26-9-8-25(15-22(26)18-34-37)41-13-10-24-7-6-20-4-3-11-32-30(20)36-24/h6-9,14-15,17-19,27-28H,1-5,10-13,16H2,(H,32,36)(H,39,40).
What are the key properties of 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 567.65 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134498337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).