2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

C22H22N2O3 — CID 90438070

IUPAC2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1-c1cccn1C1CCCC1
InChIInChI=1S/C22H22N2O3/c25-14-18-20(26)10-3-11-21(18)27-15-16-6-4-12-23-22(16)19-9-5-13-24(19)17-7-1-2-8-17/h3-6,9-14,17,26H,1-2,7-8,15H2
InChIKeyQYBTYSSJKSETGV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.76
Rot. Bonds6

About 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 90438070) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
PubChem CID90438070
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1-c1cccn1C1CCCC1
InChIInChI=1S/C22H22N2O3/c25-14-18-20(26)10-3-11-21(18)27-15-16-6-4-12-23-22(16)19-9-5-13-24(19)17-7-1-2-8-17/h3-6,9-14,17,26H,1-2,7-8,15H2
InChIKeyQYBTYSSJKSETGV-UHFFFAOYSA-N
XLogP4.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Voxelotor
CID 71602803
Osivelotor
CID 146567655
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
CID 44578596
2-Hydroxy-4-(14-quinolin-1-ium-1-yltetradecoxy)benzaldehyde bromide
CID 145982957
2-Hydroxy-4-(13-quinolin-1-ium-1-yltridecoxy)benzaldehyde
CID 145973979
2-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 129115739
(E)-1-[2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3-(1-methylpyrrol-2-yl)prop-2-en-1-one
CID 137658489
2-[[2-[4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 171348650
2-hydroxy-6-[[2-[4-[(E)-2-(4-methylphenyl)ethenyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehyde
CID 171350837
2-hydroxy-6-[[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehyde
CID 171354705
2-hydroxy-6-[[2-[4-[(E)-3-oxohept-1-enyl]-1-propan-2-ylpyrazol-5-yl]-3-pyridinyl]methoxy]benzaldehyde
CID 171358275

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (CID 90438070) is 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCc1cccnc1-c1cccn1C1CCCC1.
What is the InChIKey of 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is QYBTYSSJKSETGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-14-18-20(26)10-3-11-21(18)27-15-16-6-4-12-23-22(16)19-9-5-13-24(19)17-7-1-2-8-17/h3-6,9-14,17,26H,1-2,7-8,15H2.
What are the key properties of 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 362.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 90438070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).