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

C25H25N5O3 — CID 134498245

IUPAC3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cccnc1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C25H25N5O3/c31-24(32)14-23(18-4-1-10-26-15-18)30-22-8-7-21(13-19(22)16-28-30)33-12-9-20-6-5-17-3-2-11-27-25(17)29-20/h1,4-8,10,13,15-16,23H,2-3,9,11-12,14H2,(H,27,29)(H,31,32)
InChIKeyWZXKTGBMQOXCER-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.87
Rot. Bonds8

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

3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 134498245) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
PubChem CID134498245
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CC(c1cccnc1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21
InChIInChI=1S/C25H25N5O3/c31-24(32)14-23(18-4-1-10-26-15-18)30-22-8-7-21(13-19(22)16-28-30)33-12-9-20-6-5-17-3-2-11-27-25(17)29-20/h1,4-8,10,13,15-16,23H,2-3,9,11-12,14H2,(H,27,29)(H,31,32)
InChIKeyWZXKTGBMQOXCER-UHFFFAOYSA-N
XLogP3.87
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-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-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid (CID 134498245) is 3-pyridin-3-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-pyridin-3-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-pyridin-3-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(c1cccnc1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.
What is the InChIKey of 3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
The InChIKey is WZXKTGBMQOXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-24(32)14-23(18-4-1-10-26-15-18)30-22-8-7-21(13-19(22)16-28-30)33-12-9-20-6-5-17-3-2-11-27-25(17)29-20/h1,4-8,10,13,15-16,23H,2-3,9,11-12,14H2,(H,27,29)(H,31,32).
What are the key properties of 3-pyridin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid?
3-pyridin-3-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 443.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-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 134498245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).