2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid

C18H24N4O3 — CID 71714670

IUPAC2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1
InChIInChI=1S/C18H24N4O3/c1-2-12-3-4-15-14(9-12)17(21-20-15)18(25)19-10-13-5-7-22(8-6-13)11-16(23)24/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,25)(H,20,21)(H,23,24)
InChIKeySVENVMQUIGXOCN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid

2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid (PubChem CID 71714670) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid
PubChem CID71714670
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1
InChIInChI=1S/C18H24N4O3/c1-2-12-3-4-15-14(9-12)17(21-20-15)18(25)19-10-13-5-7-22(8-6-13)11-16(23)24/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,25)(H,20,21)(H,23,24)
InChIKeySVENVMQUIGXOCN-UHFFFAOYSA-N
XLogP1.65
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid (CID 71714670) is 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid is CCc1ccc2[nH]nc(C(=O)NCC3CCN(CC(=O)O)CC3)c2c1.
What is the InChIKey of 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is SVENVMQUIGXOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-12-3-4-15-14(9-12)17(21-20-15)18(25)19-10-13-5-7-22(8-6-13)11-16(23)24/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,19,25)(H,20,21)(H,23,24).
What are the key properties of 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid?
2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 344.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-ethyl-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 71714670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).