4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C13H14N4O2 — CID 141415793

IUPAC4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1cnc2[nH]cc(C3=CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-5-10-11(7-16-12(10)15-6-9)8-1-3-17(4-2-8)13(18)19/h1,5-7H,2-4,14H2,(H,15,16)(H,18,19)
InChIKeyNUMVAVJUTFAZQW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.91
Rot. Bonds1

About 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141415793) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141415793
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1cnc2[nH]cc(C3=CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-5-10-11(7-16-12(10)15-6-9)8-1-3-17(4-2-8)13(18)19/h1,5-7H,2-4,14H2,(H,15,16)(H,18,19)
InChIKeyNUMVAVJUTFAZQW-UHFFFAOYSA-N
XLogP1.91
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid with MolForge

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Related Compounds

4-(5-amino-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958274
4-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602971
4-[5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
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4-[5-(3-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602840
[4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 122602887
tert-butyl 4-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162749502
N-cyclopentyl-4-[5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602755
4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methylpiperidin-4-ol;7H-cyclopenta[b]pyridin-3-amine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;1-methylpiperidin-4-one
CID 161223735
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
tert-butyl 4-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162749434
4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175122167

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 141415793) is 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is Nc1cnc2[nH]cc(C3=CCN(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is NUMVAVJUTFAZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-5-10-11(7-16-12(10)15-6-9)8-1-3-17(4-2-8)13(18)19/h1,5-7H,2-4,14H2,(H,15,16)(H,18,19).
What are the key properties of 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141415793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).