N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide

C23H26F2N4O — CID 166221704

IUPACN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide
SMILESCC(C)(C(NC(=O)Cc1ccc2cn[nH]c2c1)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C23H26F2N4O/c1-23(2,29-9-3-4-10-29)22(16-7-8-18(24)19(25)13-16)27-21(30)12-15-5-6-17-14-26-28-20(17)11-15/h5-8,11,13-14,22H,3-4,9-10,12H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyZUBLXMHNBIOPKJ-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide

N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide (PubChem CID 166221704) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide
PubChem CID166221704
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC NameN-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide
SMILESCC(C)(C(NC(=O)Cc1ccc2cn[nH]c2c1)c1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C23H26F2N4O/c1-23(2,29-9-3-4-10-29)22(16-7-8-18(24)19(25)13-16)27-21(30)12-15-5-6-17-14-26-28-20(17)11-15/h5-8,11,13-14,22H,3-4,9-10,12H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyZUBLXMHNBIOPKJ-UHFFFAOYSA-N
XLogP4.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide 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-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]propanamide
CID 155948209
1-(cyclopropanecarbonyl)-N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]piperidine-3-carboxamide
CID 75455370
N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-(1H-indazol-6-yl)acetamide
CID 122136346
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548
1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136535434
1H-indazol-6-ylmethyl (3R)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 96524544
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide (CID 166221704) is N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide is CC(C)(C(NC(=O)Cc1ccc2cn[nH]c2c1)c1ccc(F)c(F)c1)N1CCCC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide?
The InChIKey is ZUBLXMHNBIOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c1-23(2,29-9-3-4-10-29)22(16-7-8-18(24)19(25)13-16)27-21(30)12-15-5-6-17-14-26-28-20(17)11-15/h5-8,11,13-14,22H,3-4,9-10,12H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide?
N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide has a molecular weight of 412.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropyl]-2-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 166221704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).