formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid

C24H30N4O7S — CID 175517153

IUPACformic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](NS(N)(=O)=O)C[C@@H]1c1ccc(C(=O)O)cc1.O=CO
InChIInChI=1S/C23H28N4O5S.CH2O2/c1-14-11-21(32-2)19(18-7-9-25-22(14)18)13-27-10-8-17(26-33(24,30)31)12-20(27)15-3-5-16(6-4-15)23(28)29;2-1-3/h3-7,9,11,17,20,25-26H,8,10,12-13H2,1-2H3,(H,28,29)(H2,24,30,31);1H,(H,2,3)/t17-,20-;/m1./s1
InChIKeyLCIDBKYAGDZEEO-OGPPPPIKSA-N
MW518.59 g/mol
LogP2.38
Rot. Bonds7

About formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid

formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid (PubChem CID 175517153) has the molecular formula C24H30N4O7S and a molecular weight of 518.59 g/mol. Its IUPAC name is formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid.

Molecular Properties

Compound Nameformic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid
PubChem CID175517153
Molecular FormulaC24H30N4O7S
Molecular Weight518.59 g/mol
Exact Mass518.18
IUPAC Nameformic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid
SMILESCOc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](NS(N)(=O)=O)C[C@@H]1c1ccc(C(=O)O)cc1.O=CO
InChIInChI=1S/C23H28N4O5S.CH2O2/c1-14-11-21(32-2)19(18-7-9-25-22(14)18)13-27-10-8-17(26-33(24,30)31)12-20(27)15-3-5-16(6-4-15)23(28)29;2-1-3/h3-7,9,11,17,20,25-26H,8,10,12-13H2,1-2H3,(H,28,29)(H2,24,30,31);1H,(H,2,3)/t17-,20-;/m1./s1
InChIKeyLCIDBKYAGDZEEO-OGPPPPIKSA-N
XLogP2.38
TPSA175.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic 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

4-[(2S,4R)-4-(cyclopropylmethylamino)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158278
4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(oxetan-3-ylamino)piperidin-2-yl]benzoic acid
CID 166158220
2-[(2S,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid
CID 170783357
4-[(2R,4R)-4-cyclopropyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158625
4-[(2S,4S)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158652
4-[(2R,4R)-4-cyclobutyl-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158458
4-[(2R,4S)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(3-methylsulfonylazetidin-1-yl)piperidin-2-yl]benzoic acid
CID 166158439
4-[(2S,4S)-4-[(cyclobutylamino)methyl]-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158259
4-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]azepan-2-yl]benzoic acid
CID 90466744
4-[(2S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;hydrochloride
CID 174060312
4-[(2R,4R)-4-cyclobutyloxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
CID 166158269
4-[(2R,4S)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)piperidin-2-yl]benzoic acid
CID 166158344

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid?
The IUPAC name of formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid (CID 175517153) is formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid.
What is the SMILES notation for formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid?
The canonical SMILES for formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid is COc1cc(C)c2[nH]ccc2c1CN1CC[C@@H](NS(N)(=O)=O)C[C@@H]1c1ccc(C(=O)O)cc1.O=CO.
What is the InChIKey of formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid?
The InChIKey is LCIDBKYAGDZEEO-OGPPPPIKSA-N. The full InChI is InChI=1S/C23H28N4O5S.CH2O2/c1-14-11-21(32-2)19(18-7-9-25-22(14)18)13-27-10-8-17(26-33(24,30)31)12-20(27)15-3-5-16(6-4-15)23(28)29;2-1-3/h3-7,9,11,17,20,25-26H,8,10,12-13H2,1-2H3,(H,28,29)(H2,24,30,31);1H,(H,2,3)/t17-,20-;/m1./s1.
What are the key properties of formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid?
formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid has a molecular weight of 518.59 g/mol, XLogP of 2.38, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[(2R,4R)-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-4-(sulfamoylamino)piperidin-2-yl]benzoic acid is sourced from PubChem (CID 175517153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).