1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde

C15H18N2O2 — CID 170338397

IUPAC1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCC(C)(O)c1ccc2cc(C=O)n(CC3CC3)c2n1
InChIInChI=1S/C15H18N2O2/c1-15(2,19)13-6-5-11-7-12(9-18)17(14(11)16-13)8-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3
InChIKeyASVAZPWLGNRDKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde

1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 170338397) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID170338397
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCC(C)(O)c1ccc2cc(C=O)n(CC3CC3)c2n1
InChIInChI=1S/C15H18N2O2/c1-15(2,19)13-6-5-11-7-12(9-18)17(14(11)16-13)8-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3
InChIKeyASVAZPWLGNRDKJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
6-trifluoromethyl-1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 66907484
1-Methyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 126506650
Tert-butyl 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylate
CID 129205770
1-(Cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 129231404
4-[(2-Fluoro-4-pyridinyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 134306690
4-[(2,3-Difluorophenyl)methyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 134309144
4-[(4-Fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 134312508
2-[(4-Fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 150242648
3-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 151394051
3-[(3,3-Difluoropiperidin-1-yl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 154488920

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 170338397) is 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde is CC(C)(O)c1ccc2cc(C=O)n(CC3CC3)c2n1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is ASVAZPWLGNRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,19)13-6-5-11-7-12(9-18)17(14(11)16-13)8-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170338397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).