N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

C25H30FN5O2 — CID 156818003

IUPACN-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C25H30FN5O2/c1-25(2,18-6-5-13-30(15-18)16-22(27)32)28-24(33)23-20-7-3-4-8-21(20)31(29-23)14-17-9-11-19(26)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H2,27,32)(H,28,33)
InChIKeyGDPQLKHZJTYZOH-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (PubChem CID 156818003) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
PubChem CID156818003
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C25H30FN5O2/c1-25(2,18-6-5-13-30(15-18)16-22(27)32)28-24(33)23-20-7-3-4-8-21(20)31(29-23)14-17-9-11-19(26)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H2,27,32)(H,28,33)
InChIKeyGDPQLKHZJTYZOH-UHFFFAOYSA-N
XLogP2.93
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-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

(3H)granisetron
CID 3510
N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Granisetron (JAN/USAN/INN)
CID 5284566
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron
CID 86287410
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (CID 156818003) is N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is CC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C1CCCN(CC(N)=O)C1.
What is the InChIKey of N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is GDPQLKHZJTYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-25(2,18-6-5-13-30(15-18)16-22(27)32)28-24(33)23-20-7-3-4-8-21(20)31(29-23)14-17-9-11-19(26)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3,(H2,27,32)(H,28,33).
What are the key properties of N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-amino-2-oxoethyl)piperidin-3-yl]propan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 156818003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).