9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine

C28H33N5O2 — CID 164611124

IUPAC9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cnn(C)c3C)c(OCc3cc(C)n(C)n3)cc1-2
InChIInChI=1S/C28H33N5O2/c1-7-20-9-8-10-24-25-13-27(35-17-23-11-18(2)32(5)30-23)26(12-21(25)15-31(4)28(20)24)34-16-22-14-29-33(6)19(22)3/h8-14H,7,15-17H2,1-6H3
InChIKeyDLVDFLNVTCSUPV-UHFFFAOYSA-N
MW471.61 g/mol
LogP5.11
Rot. Bonds7

About 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine

9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (PubChem CID 164611124) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.

Molecular Properties

Compound Name9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
PubChem CID164611124
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cnn(C)c3C)c(OCc3cc(C)n(C)n3)cc1-2
InChIInChI=1S/C28H33N5O2/c1-7-20-9-8-10-24-25-13-27(35-17-23-11-18(2)32(5)30-23)26(12-21(25)15-31(4)28(20)24)34-16-22-14-29-33(6)19(22)3/h8-14H,7,15-17H2,1-6H3
InChIKeyDLVDFLNVTCSUPV-UHFFFAOYSA-N
XLogP5.11
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-ethyl-4-methyl-6H-phenanthridine
CID 145989155
8,9-Bis[(1,3-dimethyl-1H-pyrazol-5-YL)methoxy]-5-ethyl-4-methyl-5,6-dihydrophenanthridine
CID 145990048
N-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 16189821
6-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668364
2,2'-((((4-Ethyl-5-methyl-5,6-dihydrophenanthridine-8,9-diyl)bis(oxy))bis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(ethan-1-amine)
CID 71598564
N-[2-[4-[[9-[[1-(2-acetamidoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethyl]acetamide
CID 72201545
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(2-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118613616
8-[(1,5-dimethylpyrazol-3-yl)methoxy]-5-ethyl-4-methyl-6H-phenanthridine
CID 145993675
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylindazol-5-yl)phenoxy]propan-2-ol
CID 90335162
9-methoxy-4-[(5-methyl-1H-pyrazol-1-yl)acetyl]-7-(3-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 42171855
(1S,5R)-6-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 16190360
N-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192236

Frequently Asked Questions

What is the IUPAC name of 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The IUPAC name of 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (CID 164611124) is 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.
What is the SMILES notation for 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The canonical SMILES for 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is CCc1cccc2c1N(C)Cc1cc(OCc3cnn(C)c3C)c(OCc3cc(C)n(C)n3)cc1-2.
What is the InChIKey of 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The InChIKey is DLVDFLNVTCSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-7-20-9-8-10-24-25-13-27(35-17-23-11-18(2)32(5)30-23)26(12-21(25)15-31(4)28(20)24)34-16-22-14-29-33(6)19(22)3/h8-14H,7,15-17H2,1-6H3.
What are the key properties of 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine has a molecular weight of 471.61 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1,5-dimethylpyrazol-3-yl)methoxy]-8-[(1,5-dimethylpyrazol-4-yl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is sourced from PubChem (CID 164611124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).