4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide

C72H90F2N12O9 — CID 159218986

IUPAC4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide
SMILESCN(C)C(=O)CCCN.CNC(=O)CCCN.COc1c(C(=O)NC2(CCOCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(COCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NCCCC(N)=O
InChIInChI=1S/C29H28FN3O3.C28H26FN3O3.C6H14N2O.C5H12N2O.C4H10N2O/c1-35-27-23(28(34)31-29(15-16-29)17-18-36-19-21-5-3-2-4-6-21)12-14-25-26(27)24(32-33-25)13-9-20-7-10-22(30)11-8-20;1-34-26-22(27(33)30-28(15-16-28)18-35-17-20-5-3-2-4-6-20)12-14-24-25(26)23(31-32-24)13-9-19-7-10-21(29)11-8-19;1-8(2)6(9)4-3-5-7;1-7-5(8)3-2-4-6;5-3-1-2-4(6)7/h2-14H,15-19H2,1H3,(H,31,34)(H,32,33);2-14H,15-18H2,1H3,(H,30,33)(H,31,32);3-5,7H2,1-2H3;2-4,6H2,1H3,(H,7,8);1-3,5H2,(H2,6,7)/b2*13-9+;;;
InChIKeyKRLBOVHTPCWCPC-UBTFDZPSSA-N
MW1305.58 g/mol
LogP9.61
Rot. Bonds28

About 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide

4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide (PubChem CID 159218986) has the molecular formula C72H90F2N12O9 and a molecular weight of 1305.58 g/mol. Its IUPAC name is 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide
PubChem CID159218986
Molecular FormulaC72H90F2N12O9
Molecular Weight1305.58 g/mol
Exact Mass1304.69
IUPAC Name4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide
SMILESCN(C)C(=O)CCCN.CNC(=O)CCCN.COc1c(C(=O)NC2(CCOCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(COCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NCCCC(N)=O
InChIInChI=1S/C29H28FN3O3.C28H26FN3O3.C6H14N2O.C5H12N2O.C4H10N2O/c1-35-27-23(28(34)31-29(15-16-29)17-18-36-19-21-5-3-2-4-6-21)12-14-25-26(27)24(32-33-25)13-9-20-7-10-22(30)11-8-20;1-34-26-22(27(33)30-28(15-16-28)18-35-17-20-5-3-2-4-6-20)12-14-24-25(26)23(31-32-24)13-9-19-7-10-21(29)11-8-19;1-8(2)6(9)4-3-5-7;1-7-5(8)3-2-4-6;5-3-1-2-4(6)7/h2-14H,15-19H2,1H3,(H,31,34)(H,32,33);2-14H,15-18H2,1H3,(H,30,33)(H,31,32);3-5,7H2,1-2H3;2-4,6H2,1H3,(H,7,8);1-3,5H2,(H2,6,7)/b2*13-9+;;;
InChIKeyKRLBOVHTPCWCPC-UBTFDZPSSA-N
XLogP9.61
TPSA323.04 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001305.58
LogP ≤ 59.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide 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

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2-fluorophenyl)methyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136004498
3-(3-fluorophenyl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide
CID 23589678
3-(3-fluorophenyl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide
CID 23589679
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589703
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589705
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589871
N-(2-acetamidoethyl)-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589873
N-cyclopropyl-3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589966
N-cyclopropyl-3-(3-fluorophenyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589968
3-[2-(4-fluorophenyl)ethyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 57584825
3-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide
CID 57584833
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 57584849

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide?
The IUPAC name of 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide (CID 159218986) is 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide is CN(C)C(=O)CCCN.CNC(=O)CCCN.COc1c(C(=O)NC2(CCOCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.COc1c(C(=O)NC2(COCc3ccccc3)CC2)ccc2n[nH]c(/C=C/c3ccc(F)cc3)c12.NCCCC(N)=O.
What is the InChIKey of 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide?
The InChIKey is KRLBOVHTPCWCPC-UBTFDZPSSA-N. The full InChI is InChI=1S/C29H28FN3O3.C28H26FN3O3.C6H14N2O.C5H12N2O.C4H10N2O/c1-35-27-23(28(34)31-29(15-16-29)17-18-36-19-21-5-3-2-4-6-21)12-14-25-26(27)24(32-33-25)13-9-20-7-10-22(30)11-8-20;1-34-26-22(27(33)30-28(15-16-28)18-35-17-20-5-3-2-4-6-20)12-14-24-25(26)23(31-32-24)13-9-19-7-10-21(29)11-8-19;1-8(2)6(9)4-3-5-7;1-7-5(8)3-2-4-6;5-3-1-2-4(6)7/h2-14H,15-19H2,1H3,(H,31,34)(H,32,33);2-14H,15-18H2,1H3,(H,30,33)(H,31,32);3-5,7H2,1-2H3;2-4,6H2,1H3,(H,7,8);1-3,5H2,(H2,6,7)/b2*13-9+;;;.
What are the key properties of 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide?
4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide has a molecular weight of 1305.58 g/mol, XLogP of 9.61, 28 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanamide;4-amino-N,N-dimethylbutanamide;4-amino-N-methylbutanamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(2-phenylmethoxyethyl)cyclopropyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[1-(phenylmethoxymethyl)cyclopropyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 159218986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).