methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate

C30H25ClN4O4 — CID 118212880

IUPACmethyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C30H25ClN4O4/c1-39-30(38)28(27-24-17-23(31)12-13-25(24)33-34-27)32-29(37)22-6-4-5-21(16-22)15-19-8-10-20(11-9-19)18-35-14-3-2-7-26(35)36/h2-14,16-17,28H,15,18H2,1H3,(H,32,37)(H,33,34)
InChIKeyPLCBYNSUTKVYTN-UHFFFAOYSA-N
MW541.01 g/mol
LogP4.66
Rot. Bonds8

About methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate

methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate (PubChem CID 118212880) has the molecular formula C30H25ClN4O4 and a molecular weight of 541.01 g/mol. Its IUPAC name is methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate
PubChem CID118212880
Molecular FormulaC30H25ClN4O4
Molecular Weight541.01 g/mol
Exact Mass540.16
IUPAC Namemethyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate
SMILESCOC(=O)C(NC(=O)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C30H25ClN4O4/c1-39-30(38)28(27-24-17-23(31)12-13-25(24)33-34-27)32-29(37)22-6-4-5-21(16-22)15-19-8-10-20(11-9-19)18-35-14-3-2-7-26(35)36/h2-14,16-17,28H,15,18H2,1H3,(H,32,37)(H,33,34)
InChIKeyPLCBYNSUTKVYTN-UHFFFAOYSA-N
XLogP4.66
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.01
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate 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-(3-chlorophenyl)-2-hydroxyethyl]-3-phenyl-1H-indazole-5-carboxamide
CID 127047025
US10981893, Example 12
CID 124173176
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 118212293
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]benzamide
CID 118212397
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[2-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 118212999
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-(1H-indazole-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid
CID 68808177
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 91820633
3-chloro-N-[2-[[2-[4-[[4-(1H-indazol-3-yl)benzoyl]amino]butylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 117746787
methyl 2-[(5-chloro-2H-indazol-3-yl)methylamino]-2-[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]phenyl]acetate
CID 118212269
2-[[3-[(5-chloro-2H-indazol-3-yl)methylcarbamoyl]phenyl]methyl]-5-[(2-oxo-1-pyridinyl)methyl]benzamide
CID 118212375
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide
CID 118212489
N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[[3-chloro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 118212495

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate?
The IUPAC name of methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate (CID 118212880) is methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate is COC(=O)C(NC(=O)c1cccc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate?
The InChIKey is PLCBYNSUTKVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O4/c1-39-30(38)28(27-24-17-23(31)12-13-25(24)33-34-27)32-29(37)22-6-4-5-21(16-22)15-19-8-10-20(11-9-19)18-35-14-3-2-7-26(35)36/h2-14,16-17,28H,15,18H2,1H3,(H,32,37)(H,33,34).
What are the key properties of methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate?
methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate has a molecular weight of 541.01 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2H-indazol-3-yl)-2-[[3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzoyl]amino]acetate is sourced from PubChem (CID 118212880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).