2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine

C27H26N6O2 — CID 19890807

IUPAC2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(OC(C)C)ccc2n1
InChIInChI=1S/C27H26N6O2/c1-4-20-15-24(26-23(28-20)13-14-25(29-26)35-17(2)3)34-16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)27-30-32-33-31-27/h5-15,17H,4,16H2,1-3H3,(H,30,31,32,33)
InChIKeyVPKPMOBKGPHPMM-UHFFFAOYSA-N
MW466.55 g/mol
LogP5.41
Rot. Bonds8

About 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine

2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine (PubChem CID 19890807) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine.

Molecular Properties

Compound Name2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine
PubChem CID19890807
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(OC(C)C)ccc2n1
InChIInChI=1S/C27H26N6O2/c1-4-20-15-24(26-23(28-20)13-14-25(29-26)35-17(2)3)34-16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)27-30-32-33-31-27/h5-15,17H,4,16H2,1-3H3,(H,30,31,32,33)
InChIKeyVPKPMOBKGPHPMM-UHFFFAOYSA-N
XLogP5.41
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methoxy-2,6-dimethyl-4-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methoxy)pyridine
CID 178553
2-Ethyl-4-(2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethoxy)-5,6,7,8-tetrahydroquinoline
CID 9887844
Ici D8731
CID 132562
2-((4-((2-(2H-Tetrazol-5-ylmethyl)phenyl)methoxy)phenoxy)methyl)quinoline
CID 129044
5-[(2-ethyl-6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 9826888
3-butyl-1-oxido-2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxalin-1-ium
CID 44212339
2-butyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoxaline
CID 9802344
2-[[4-[2-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 9842487
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-quinoline
CID 9886863
2-{4-[3-(1H-Tetrazol-5-yl)-propoxy]-phenoxymethyl}-quinoline
CID 9906952
2-Methyl-4-{1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-yl]-ethoxy}-quinoline
CID 9909335
2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxymethyl}-quinoline
CID 9909426

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine?
The IUPAC name of 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine (CID 19890807) is 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine.
What is the SMILES notation for 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine?
The canonical SMILES for 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine is CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(OC(C)C)ccc2n1.
What is the InChIKey of 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine?
The InChIKey is VPKPMOBKGPHPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-4-20-15-24(26-23(28-20)13-14-25(29-26)35-17(2)3)34-16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)27-30-32-33-31-27/h5-15,17H,4,16H2,1-3H3,(H,30,31,32,33).
What are the key properties of 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine?
2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine has a molecular weight of 466.55 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-yloxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-1,5-naphthyridine is sourced from PubChem (CID 19890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).