4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine

C29H34N10O2 — CID 175633315

IUPAC4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine
SMILESCc1ccc(Cn2nnnc2-c2cnc3cc(N4CCOCC4)nc(OC4CCC(n5ccnc5)CC4)c3c2)n1C
InChIInChI=1S/C29H34N10O2/c1-20-3-4-23(36(20)2)18-39-28(33-34-35-39)21-15-25-26(31-17-21)16-27(37-11-13-40-14-12-37)32-29(25)41-24-7-5-22(6-8-24)38-10-9-30-19-38/h3-4,9-10,15-17,19,22,24H,5-8,11-14,18H2,1-2H3
InChIKeyGCEGFUJRMRBRIA-UHFFFAOYSA-N
MW554.66 g/mol
LogP3.57
Rot. Bonds7

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

4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine (PubChem CID 175633315) has the molecular formula C29H34N10O2 and a molecular weight of 554.66 g/mol. Its IUPAC name is 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine
PubChem CID175633315
Molecular FormulaC29H34N10O2
Molecular Weight554.66 g/mol
Exact Mass554.29
IUPAC Name4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine
SMILESCc1ccc(Cn2nnnc2-c2cnc3cc(N4CCOCC4)nc(OC4CCC(n5ccnc5)CC4)c3c2)n1C
InChIInChI=1S/C29H34N10O2/c1-20-3-4-23(36(20)2)18-39-28(33-34-35-39)21-15-25-26(31-17-21)16-27(37-11-13-40-14-12-37)32-29(25)41-24-7-5-22(6-8-24)38-10-9-30-19-38/h3-4,9-10,15-17,19,22,24H,5-8,11-14,18H2,1-2H3
InChIKeyGCEGFUJRMRBRIA-UHFFFAOYSA-N
XLogP3.57
TPSA113.83 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.66
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol
CID 165113562
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-pyrrol-1-ylcyclohexyl)oxy-3-(2H-tetrazol-5-yl)-1,6-naphthyridin-7-yl]morpholine
CID 175633196
5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide
CID 165113460
[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
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
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
2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
CID 171762821
2-(4-imidazol-1-ylcyclohexyl)oxy-N-methoxy-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
CID 171762831
4-(3-bromo-5-cyclohexyloxy-1,6-naphthyridin-7-yl)morpholine
CID 165113101
2-[2-[[4-[(3-methyl-7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetic acid
CID 175633179
4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
CID 165112977

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine?
The IUPAC name of 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) is 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine.
What is the SMILES notation for 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine?
The canonical SMILES for 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine is Cc1ccc(Cn2nnnc2-c2cnc3cc(N4CCOCC4)nc(OC4CCC(n5ccnc5)CC4)c3c2)n1C.
What is the InChIKey of 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine?
The InChIKey is GCEGFUJRMRBRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N10O2/c1-20-3-4-23(36(20)2)18-39-28(33-34-35-39)21-15-25-26(31-17-21)16-27(37-11-13-40-14-12-37)32-29(25)41-24-7-5-22(6-8-24)38-10-9-30-19-38/h3-4,9-10,15-17,19,22,24H,5-8,11-14,18H2,1-2H3.
What are the key properties of 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine?
4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine has a molecular weight of 554.66 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(1,5-dimethylpyrrol-2-yl)methyl]tetrazol-5-yl]-5-(4-imidazol-1-ylcyclohexyl)oxy-1,6-naphthyridin-7-yl]morpholine is sourced from PubChem (CID 175633315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).