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

C22H23FN4O3 — CID 127035080

IUPAC2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C22H23FN4O3/c23-18-4-2-1-3-16(18)15-5-6-19-17(11-15)21(26-25-19)22(30)24-12-14-7-9-27(10-8-14)13-20(28)29/h1-6,11,14H,7-10,12-13H2,(H,24,30)(H,25,26)(H,28,29)
InChIKeySRODKRPXWAFBEP-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.90
Rot. Bonds6

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

2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid (PubChem CID 127035080) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
PubChem CID127035080
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C22H23FN4O3/c23-18-4-2-1-3-16(18)15-5-6-19-17(11-15)21(26-25-19)22(30)24-12-14-7-9-27(10-8-14)13-20(28)29/h1-6,11,14H,7-10,12-13H2,(H,24,30)(H,25,26)(H,28,29)
InChIKeySRODKRPXWAFBEP-UHFFFAOYSA-N
XLogP2.90
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid (CID 127035080) is 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1.
What is the InChIKey of 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is SRODKRPXWAFBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-18-4-2-1-3-16(18)15-5-6-19-17(11-15)21(26-25-19)22(30)24-12-14-7-9-27(10-8-14)13-20(28)29/h1-6,11,14H,7-10,12-13H2,(H,24,30)(H,25,26)(H,28,29).
What are the key properties of 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid?
2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 410.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[5-(2-fluorophenyl)-1H-indazole-3-carbonyl]amino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 127035080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).