2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C16H13N5O — CID 162759536

IUPAC2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1c(-c2ccc3nc(N)c(C=O)n3c2)cnc2[nH]ccc12
InChIInChI=1S/C16H13N5O/c1-9-11-4-5-18-16(11)19-6-12(9)10-2-3-14-20-15(17)13(8-22)21(14)7-10/h2-8H,17H2,1H3,(H,18,19)
InChIKeyGHUZAWIPHLVSFQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 162759536) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID162759536
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1c(-c2ccc3nc(N)c(C=O)n3c2)cnc2[nH]ccc12
InChIInChI=1S/C16H13N5O/c1-9-11-4-5-18-16(11)19-6-12(9)10-2-3-14-20-15(17)13(8-22)21(14)7-10/h2-8H,17H2,1H3,(H,18,19)
InChIKeyGHUZAWIPHLVSFQ-UHFFFAOYSA-N
XLogP2.58
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(6-fluoro-1H-indol-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759387
3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 166991443
2-amino-6-(5-amino-2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane;fluoromethane
CID 162759579
2-amino-6-(5-fluoro-1H-indol-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759358
2-amino-6-(1H-indol-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759628
2-amino-6-isoquinolin-4-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759487
[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
CID 162759362
fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
CID 154686076
2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759639
2-methyl-6-phenylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2759987
[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
CID 162759574
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90287303

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 162759536) is 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1c(-c2ccc3nc(N)c(C=O)n3c2)cnc2[nH]ccc12.
What is the InChIKey of 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is GHUZAWIPHLVSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-9-11-4-5-18-16(11)19-6-12(9)10-2-3-14-20-15(17)13(8-22)21(14)7-10/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 291.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 162759536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).