4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine

C23H26N8O2 — CID 175633196

IUPAC4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine
SMILESc1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncc(-c5nn[nH]n5)cc34)CC2)c1
InChIInChI=1S/C23H26N8O2/c1-2-8-30(7-1)17-3-5-18(6-4-17)33-23-19-13-16(22-26-28-29-27-22)15-24-20(19)14-21(25-23)31-9-11-32-12-10-31/h1-2,7-8,13-15,17-18H,3-6,9-12H2,(H,26,27,28,29)
InChIKeyLMZDHEKXXFAUQP-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.01
Rot. Bonds5

About 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine

4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine (PubChem CID 175633196) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine
PubChem CID175633196
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine
SMILESc1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncc(-c5nn[nH]n5)cc34)CC2)c1
InChIInChI=1S/C23H26N8O2/c1-2-8-30(7-1)17-3-5-18(6-4-17)33-23-19-13-16(22-26-28-29-27-22)15-24-20(19)14-21(25-23)31-9-11-32-12-10-31/h1-2,7-8,13-15,17-18H,3-6,9-12H2,(H,26,27,28,29)
InChIKeyLMZDHEKXXFAUQP-UHFFFAOYSA-N
XLogP3.01
TPSA106.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine
CID 175633315
4-(3-bromo-5-cyclohexyloxy-1,6-naphthyridin-7-yl)morpholine
CID 165113101
5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide
CID 165113460
4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol
CID 165113562
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
CID 175633179
2-[[4-[[3-[2-[(2,3-dimethylimidazol-4-yl)methyl]tetrazol-5-yl]-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]pyrimidine-5-carbonitrile
CID 175633257
5-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-amine
CID 165113640
[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy-(3-nitro-1-propan-2-ylpyrazol-4-yl)methanediol
CID 156649362
4-[1-[[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]oxy]ethyl]-1-propan-2-ylpyrazol-5-amine
CID 156649401
4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
CID 165112977
5-(4-imidazol-1-ylcyclohexyl)oxy-N-[(3-methyl-2-nitroimidazol-4-yl)methyl]-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
CID 165113243
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyridazin-3-amine
CID 165113093

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine?
The IUPAC name of 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine (CID 175633196) is 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine is c1ccn(C2CCC(Oc3nc(N4CCOCC4)cc4ncc(-c5nn[nH]n5)cc34)CC2)c1.
What is the InChIKey of 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine?
The InChIKey is LMZDHEKXXFAUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-2-8-30(7-1)17-3-5-18(6-4-17)33-23-19-13-16(22-26-28-29-27-22)15-24-20(19)14-21(25-23)31-9-11-32-12-10-31/h1-2,7-8,13-15,17-18H,3-6,9-12H2,(H,26,27,28,29).
What are the key properties of 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine?
4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine has a molecular weight of 446.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine is sourced from PubChem (CID 175633196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).