4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid

C25H31N5O5 — CID 10254619

IUPAC4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)n(CCO)n2)cn1
InChIInChI=1S/C25H31N5O5/c1-34-22-7-5-18(16-27-22)19(14-24(32)33)13-21-15-23(30(29-21)10-11-31)35-12-8-20-6-4-17-3-2-9-26-25(17)28-20/h4-7,15-16,19,31H,2-3,8-14H2,1H3,(H,26,28)(H,32,33)
InChIKeyCBOGFXJZAYWYBD-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.45
Rot. Bonds12

About 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid

4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid (PubChem CID 10254619) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid
PubChem CID10254619
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid
SMILESCOc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)n(CCO)n2)cn1
InChIInChI=1S/C25H31N5O5/c1-34-22-7-5-18(16-27-22)19(14-24(32)33)13-21-15-23(30(29-21)10-11-31)35-12-8-20-6-4-17-3-2-9-26-25(17)28-20/h4-7,15-16,19,31H,2-3,8-14H2,1H3,(H,26,28)(H,32,33)
InChIKeyCBOGFXJZAYWYBD-UHFFFAOYSA-N
XLogP2.45
TPSA131.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid?
The IUPAC name of 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid (CID 10254619) is 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid is COc1ccc(C(CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)n(CCO)n2)cn1.
What is the InChIKey of 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid?
The InChIKey is CBOGFXJZAYWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-34-22-7-5-18(16-27-22)19(14-24(32)33)13-21-15-23(30(29-21)10-11-31)35-12-8-20-6-4-17-3-2-9-26-25(17)28-20/h4-7,15-16,19,31H,2-3,8-14H2,1H3,(H,26,28)(H,32,33).
What are the key properties of 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid?
4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid has a molecular weight of 481.55 g/mol, XLogP of 2.45, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyethyl)-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]pyrazol-3-yl]-3-(6-methoxy-3-pyridinyl)butanoic acid is sourced from PubChem (CID 10254619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).