1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde

C19H20FN3O2 — CID 170338299

IUPAC1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde
SMILESCC(COc1cccc2cc(C=O)n(CC3CC3)c12)n1cnc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13(22-9-18(20)21-12-22)11-25-17-4-2-3-15-7-16(10-24)23(19(15)17)8-14-5-6-14/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3
InChIKeyVOVBCJBHDBXISE-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.84
Rot. Bonds7

About 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde

1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde (PubChem CID 170338299) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde
PubChem CID170338299
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde
SMILESCC(COc1cccc2cc(C=O)n(CC3CC3)c12)n1cnc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13(22-9-18(20)21-12-22)11-25-17-4-2-3-15-7-16(10-24)23(19(15)17)8-14-5-6-14/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3
InChIKeyVOVBCJBHDBXISE-UHFFFAOYSA-N
XLogP3.84
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid
CID 170344353
tert-butyl N-[(2S)-1-[2-[1-(cyclopropylmethyl)-7-[(2R)-2-(4-fluoroimidazol-1-yl)propoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamate
CID 170604270
7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde
CID 170344098
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
CID 138503156
1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 170338397
1-[(4-chlorocyclohexyl)methyl]-5-methoxypyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 143445358
1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
CID 105489323
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-5-ethenyl-1,6-dimethylbenzimidazole;ethane
CID 170604107
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
methyl N-[(2R)-1-[2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxypropan-2-yl]carbamate
CID 170603936
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde (CID 170338299) is 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde is CC(COc1cccc2cc(C=O)n(CC3CC3)c12)n1cnc(F)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde?
The InChIKey is VOVBCJBHDBXISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(22-9-18(20)21-12-22)11-25-17-4-2-3-15-7-16(10-24)23(19(15)17)8-14-5-6-14/h2-4,7,9-10,12-14H,5-6,8,11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde?
1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde has a molecular weight of 341.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde is sourced from PubChem (CID 170338299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).