7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C17H18N4O — CID 134498323

IUPAC7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H18N4O/c1-2-12-3-4-14(20-17(12)18-8-1)7-9-22-15-5-6-16-13(10-15)11-19-21-16/h3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21)
InChIKeyUBGUQFVGOPEWNO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds4

About 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 134498323) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID134498323
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H18N4O/c1-2-12-3-4-14(20-17(12)18-8-1)7-9-22-15-5-6-16-13(10-15)11-19-21-16/h3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21)
InChIKeyUBGUQFVGOPEWNO-UHFFFAOYSA-N
XLogP2.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1H-indazole-6-carbonylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid
CID 134394611
3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoic acid
CID 67427537
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 134500084
3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 175756478
(3R)-3-quinoxalin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propane-1,1-diol
CID 155244351
ethyl 6-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]hexanoate
CID 91095666
2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
CID 22347616
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
ethyl 3-pyridin-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]prop-2-enoate
CID 66821149
2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]ethanesulfinic acid
CID 134341743
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 22347519

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 134498323) is 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is UBGUQFVGOPEWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-12-3-4-14(20-17(12)18-8-1)7-9-22-15-5-6-16-13(10-15)11-19-21-16/h3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21).
What are the key properties of 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 294.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 134498323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).