2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C17H18N4 — CID 166669211

IUPAC2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cnc2c(c1)CCC(CCc1ccc3cn[nH]c3c1)N2
InChIInChI=1S/C17H18N4/c1-2-13-6-8-15(20-17(13)18-9-1)7-4-12-3-5-14-11-19-21-16(14)10-12/h1-3,5,9-11,15H,4,6-8H2,(H,18,20)(H,19,21)
InChIKeyPYMOIHNDRYTNMT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds3

About 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 166669211) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID166669211
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cnc2c(c1)CCC(CCc1ccc3cn[nH]c3c1)N2
InChIInChI=1S/C17H18N4/c1-2-13-6-8-15(20-17(13)18-9-1)7-4-12-3-5-14-11-19-21-16(14)10-12/h1-3,5,9-11,15H,4,6-8H2,(H,18,20)(H,19,21)
InChIKeyPYMOIHNDRYTNMT-UHFFFAOYSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 166669211) is 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is c1cnc2c(c1)CCC(CCc1ccc3cn[nH]c3c1)N2.
What is the InChIKey of 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is PYMOIHNDRYTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-13-6-8-15(20-17(13)18-9-1)7-4-12-3-5-14-11-19-21-16(14)10-12/h1-3,5,9-11,15H,4,6-8H2,(H,18,20)(H,19,21).
What are the key properties of 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 278.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 166669211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).