4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid

C19H26N4O4 — CID 71714654

IUPAC4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(=O)O)CC3)c2c1
InChIInChI=1S/C19H26N4O4/c1-27-14-4-5-16-15(11-14)18(22-21-16)19(26)20-12-13-6-9-23(10-7-13)8-2-3-17(24)25/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,22)(H,24,25)
InChIKeySHQBCBFQEAZMRA-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.88
Rot. Bonds8

About 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid

4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid (PubChem CID 71714654) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid
PubChem CID71714654
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid
SMILESCOc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(=O)O)CC3)c2c1
InChIInChI=1S/C19H26N4O4/c1-27-14-4-5-16-15(11-14)18(22-21-16)19(26)20-12-13-6-9-23(10-7-13)8-2-3-17(24)25/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,22)(H,24,25)
InChIKeySHQBCBFQEAZMRA-UHFFFAOYSA-N
XLogP1.88
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 71680627
5-methoxy-N-{[1-(2-methoxyethyl)-piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714627
5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698
N-({1-[3-(butanoylamino)propyl] piperidin-4-yl}methyl)-5-methoxy-1H-indazole-3-carboxamide
CID 71714699
N-[(1-{3-[(2E)-but-2-enoylamino]propyl}piperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 71714700
5-methoxy-N-({1-[3-(propanoylamino) propyl]piperidin-4-yl}methyl)-1H-indazole-3-carboxamide
CID 71714701
N-({1-[3-(but-2-ynoylamino)propyl]piperidin-4-yl}methyl)-5-methoxy-1H-indazole-3-carboxamide
CID 71714702
5-methoxy-N-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 71715678
5-{[4-({[(5-Methoxy-1H-indazol-3-yl)carbonyl]amino}methyl) piperidin-1-yl]methyl}furan-2-carboxylic acid
CID 89767087
2-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 89767178
sodium 5-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89767330
4-[[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89767350

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid (CID 71714654) is 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid is COc1ccc2[nH]nc(C(=O)NCC3CCN(CCCC(=O)O)CC3)c2c1.
What is the InChIKey of 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid?
The InChIKey is SHQBCBFQEAZMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-27-14-4-5-16-15(11-14)18(22-21-16)19(26)20-12-13-6-9-23(10-7-13)8-2-3-17(24)25/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,20,26)(H,21,22)(H,24,25).
What are the key properties of 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid?
4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid has a molecular weight of 374.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(5-methoxy-1H-indazole-3-carbonyl)amino]methyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 71714654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).