N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide

C32H41FN4O3 — CID 68849781

IUPACN-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C[C@H](CN1CC[C@@H](n3ccnc3-c3c(C(C)(C)O)ccc(C)c3F)[C@H](OC)C1)C2
InChIInChI=1S/C32H41FN4O3/c1-6-28(38)35-24-9-8-22-15-21(16-23(22)17-24)18-36-13-11-26(27(19-36)40-5)37-14-12-34-31(37)29-25(32(3,4)39)10-7-20(2)30(29)33/h7-10,12,14,17,21,26-27,39H,6,11,13,15-16,18-19H2,1-5H3,(H,35,38)/t21-,26-,27-/m1/s1
InChIKeyPLQBFSLNGCEKIE-SACAOSOOSA-N
MW548.70 g/mol
LogP5.25
Rot. Bonds8

About N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide

N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide (PubChem CID 68849781) has the molecular formula C32H41FN4O3 and a molecular weight of 548.70 g/mol. Its IUPAC name is N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
PubChem CID68849781
Molecular FormulaC32H41FN4O3
Molecular Weight548.70 g/mol
Exact Mass548.32
IUPAC NameN-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C[C@H](CN1CC[C@@H](n3ccnc3-c3c(C(C)(C)O)ccc(C)c3F)[C@H](OC)C1)C2
InChIInChI=1S/C32H41FN4O3/c1-6-28(38)35-24-9-8-22-15-21(16-23(22)17-24)18-36-13-11-26(27(19-36)40-5)37-14-12-34-31(37)29-25(32(3,4)39)10-7-20(2)30(29)33/h7-10,12,14,17,21,26-27,39H,6,11,13,15-16,18-19H2,1-5H3,(H,35,38)/t21-,26-,27-/m1/s1
InChIKeyPLQBFSLNGCEKIE-SACAOSOOSA-N
XLogP5.25
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.70
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-[[4-(2-ethyl-5-methylbenzimidazol-1-yl)-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 68884131
N-[(2R)-2-[[(3S,4R)-3-methoxy-4-(5-methyl-2-propan-2-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 58852265
2-[1-[(3S,4R)-1-[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]methyl]-3-methoxypiperidin-4-yl]-5-methylbenzimidazol-2-yl]propan-2-ol
CID 68848207
tert-butyl N-[2-[[4-(2,5-dimethylbenzimidazol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 68509056
N-[(2S)-2-[[(3R,4R)-4-(2,5-dimethylbenzimidazol-1-yl)-3-hydroxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]cyclopropanecarboxamide
CID 71018106
[4-(2,5-dimethylbenzimidazol-1-yl)-1-[[(2S)-5-(2-methylpropanoylamino)-2,3-dihydro-1H-inden-2-yl]methyl]piperidin-3-yl] methanesulfonate
CID 140512456
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
tert-butyl 4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47041677
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690553

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?
The IUPAC name of N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide (CID 68849781) is N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide.
What is the SMILES notation for N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?
The canonical SMILES for N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)C[C@H](CN1CC[C@@H](n3ccnc3-c3c(C(C)(C)O)ccc(C)c3F)[C@H](OC)C1)C2.
What is the InChIKey of N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?
The InChIKey is PLQBFSLNGCEKIE-SACAOSOOSA-N. The full InChI is InChI=1S/C32H41FN4O3/c1-6-28(38)35-24-9-8-22-15-21(16-23(22)17-24)18-36-13-11-26(27(19-36)40-5)37-14-12-34-31(37)29-25(32(3,4)39)10-7-20(2)30(29)33/h7-10,12,14,17,21,26-27,39H,6,11,13,15-16,18-19H2,1-5H3,(H,35,38)/t21-,26-,27-/m1/s1.
What are the key properties of N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide?
N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide has a molecular weight of 548.70 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[(3R,4R)-4-[2-[2-fluoro-6-(2-hydroxypropan-2-yl)-3-methylphenyl]imidazol-1-yl]-3-methoxypiperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]propanamide is sourced from PubChem (CID 68849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).