4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

C14H19N5O2 — CID 136570516

IUPAC4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCCn1ccnc1CNC1CCCn2nc(C(=O)O)cc21
InChIInChI=1S/C14H19N5O2/c1-2-18-7-5-15-13(18)9-16-10-4-3-6-19-12(10)8-11(17-19)14(20)21/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,20,21)
InChIKeyKOHVKSQQAUHNNL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.42
Rot. Bonds5

About 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 136570516) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID136570516
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCCn1ccnc1CNC1CCCn2nc(C(=O)O)cc21
InChIInChI=1S/C14H19N5O2/c1-2-18-7-5-15-13(18)9-16-10-4-3-6-19-12(10)8-11(17-19)14(20)21/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,20,21)
InChIKeyKOHVKSQQAUHNNL-UHFFFAOYSA-N
XLogP1.42
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 136570516) is 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is CCn1ccnc1CNC1CCCn2nc(C(=O)O)cc21.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is KOHVKSQQAUHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18-7-5-15-13(18)9-16-10-4-3-6-19-12(10)8-11(17-19)14(20)21/h5,7-8,10,16H,2-4,6,9H2,1H3,(H,20,21).
What are the key properties of 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 136570516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).