5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one

C24H24N4O2 — CID 15712531

IUPAC5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCc1[nH]cnc1CN1CCc2c(c3cccc(OCc4ccccc4)c3n2C)C1=O
InChIInChI=1S/C24H24N4O2/c1-16-19(26-15-25-16)13-28-12-11-20-22(24(28)29)18-9-6-10-21(23(18)27(20)2)30-14-17-7-4-3-5-8-17/h3-10,15H,11-14H2,1-2H3,(H,25,26)
InChIKeyYITASVDKPJFCML-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.99
Rot. Bonds5

About 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one

5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one (PubChem CID 15712531) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID15712531
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCc1[nH]cnc1CN1CCc2c(c3cccc(OCc4ccccc4)c3n2C)C1=O
InChIInChI=1S/C24H24N4O2/c1-16-19(26-15-25-16)13-28-12-11-20-22(24(28)29)18-9-6-10-21(23(18)27(20)2)30-14-17-7-4-3-5-8-17/h3-10,15H,11-14H2,1-2H3,(H,25,26)
InChIKeyYITASVDKPJFCML-UHFFFAOYSA-N
XLogP3.99
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
CID 24776344
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CID 23647565
(7-Benzyloxy-1H-indol-3-yl)-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
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7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(2R)-1-phenylpropan-2-yl]indole-3-carboxamide
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US10022387, Example 12
CID 122447522
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
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12-[(2-Methylimidazol-1-yl)methyl]-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraen-11-one
CID 21859630
7-methoxy-N-[(2S,3E)-3-methoxyimino-1-phenylbutan-2-yl]-2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
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7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(2S)-1-phenylpropan-2-yl]indole-3-carboxamide
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7-methoxy-2-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 44317019
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(1H-imidazol-2-yl)indolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one?
The IUPAC name of 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one (CID 15712531) is 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one is Cc1[nH]cnc1CN1CCc2c(c3cccc(OCc4ccccc4)c3n2C)C1=O.
What is the InChIKey of 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one?
The InChIKey is YITASVDKPJFCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-19(26-15-25-16)13-28-12-11-20-22(24(28)29)18-9-6-10-21(23(18)27(20)2)30-14-17-7-4-3-5-8-17/h3-10,15H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one?
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one has a molecular weight of 400.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-phenylmethoxy-3,4-dihydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 15712531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).