[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone

C21H18N4O3 — CID 23249662

IUPAC[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone
SMILESCCOCn1c(C(=O)c2cccnc2)cnc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H18N4O3/c1-2-28-13-25-18(19(26)14-6-5-9-22-10-14)12-24-21(25)20(27)16-11-23-17-8-4-3-7-15(16)17/h3-12,23H,2,13H2,1H3
InChIKeyMFZCRHIIRUKGTM-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.22
Rot. Bonds7

About [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone

[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone (PubChem CID 23249662) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone
PubChem CID23249662
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone
SMILESCCOCn1c(C(=O)c2cccnc2)cnc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H18N4O3/c1-2-28-13-25-18(19(26)14-6-5-9-22-10-14)12-24-21(25)20(27)16-11-23-17-8-4-3-7-15(16)17/h3-12,23H,2,13H2,1H3
InChIKeyMFZCRHIIRUKGTM-UHFFFAOYSA-N
XLogP3.22
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone (CID 23249662) is [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone is CCOCn1c(C(=O)c2cccnc2)cnc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone?
The InChIKey is MFZCRHIIRUKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-28-13-25-18(19(26)14-6-5-9-22-10-14)12-24-21(25)20(27)16-11-23-17-8-4-3-7-15(16)17/h3-12,23H,2,13H2,1H3.
What are the key properties of [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone?
[3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone has a molecular weight of 374.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-2-(1H-indole-3-carbonyl)imidazol-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 23249662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).