2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

C16H21N3O — CID 117129776

IUPAC2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCC1Cc1cn2cc(C=O)ccc2n1
InChIInChI=1S/C16H21N3O/c1-12(2)19-7-3-4-15(19)8-14-10-18-9-13(11-20)5-6-16(18)17-14/h5-6,9-12,15H,3-4,7-8H2,1-2H3
InChIKeyDVAHSUHXXXYEKA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds4

About 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 117129776) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
PubChem CID117129776
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
SMILESCC(C)N1CCCC1Cc1cn2cc(C=O)ccc2n1
InChIInChI=1S/C16H21N3O/c1-12(2)19-7-3-4-15(19)8-14-10-18-9-13(11-20)5-6-16(18)17-14/h5-6,9-12,15H,3-4,7-8H2,1-2H3
InChIKeyDVAHSUHXXXYEKA-UHFFFAOYSA-N
XLogP2.56
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138556
7-methoxy-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117134376
2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129769
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 117136747
2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129058
2-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117128929
2-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117129834
[2-[(1-propan-2-ylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridin-8-yl]methanamine
CID 117136814
2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130572
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138544

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde (CID 117129776) is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is CC(C)N1CCCC1Cc1cn2cc(C=O)ccc2n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
The InChIKey is DVAHSUHXXXYEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)19-7-3-4-15(19)8-14-10-18-9-13(11-20)5-6-16(18)17-14/h5-6,9-12,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde?
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117129776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).