pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate

C24H22FN3O3 — CID 142433440

IUPACpyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCc1cc(NC(=O)c2cccc3c2CC[C@@H]3NC(=O)OCc2ccccn2)ccc1F
InChIInChI=1S/C24H22FN3O3/c1-15-13-16(8-10-21(15)25)27-23(29)20-7-4-6-19-18(20)9-11-22(19)28-24(30)31-14-17-5-2-3-12-26-17/h2-8,10,12-13,22H,9,11,14H2,1H3,(H,27,29)(H,28,30)/t22-/m0/s1
InChIKeyFRCUJAIMPMHLGC-QFIPXVFZSA-N
MW419.46 g/mol
LogP4.70
Rot. Bonds5

About pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate

pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 142433440) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID142433440
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Namepyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCc1cc(NC(=O)c2cccc3c2CC[C@@H]3NC(=O)OCc2ccccn2)ccc1F
InChIInChI=1S/C24H22FN3O3/c1-15-13-16(8-10-21(15)25)27-23(29)20-7-4-6-19-18(20)9-11-22(19)28-24(30)31-14-17-5-2-3-12-26-17/h2-8,10,12-13,22H,9,11,14H2,1H3,(H,27,29)(H,28,30)/t22-/m0/s1
InChIKeyFRCUJAIMPMHLGC-QFIPXVFZSA-N
XLogP4.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate 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

pyridin-2-ylmethyl N-[8-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 134348665
[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 153315365
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3,4-difluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 142433432
(3-chloro-2-pyridinyl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;hydrochloride
CID 142306109
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(5-methylpyrazin-2-yl)methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate;(5-methylpyrazin-2-yl)methyl imidazole-1-carboxylate;hydrochloride
CID 159868951
(1-methyl-1,2,4-triazol-3-yl)methyl N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 146425392
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 146690514
1-pyridin-2-ylethyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139328578
3-methoxypropyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 139340331
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745
(4S)-4-amino-N-(3,4-difluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;(1-methylpyrazol-3-yl)methyl N-[(4S)-8-[(3,4-difluorophenyl)carbamoyl]-3,4-dihydro-2H-chromen-4-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate;hydrochloride
CID 161401572

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 142433440) is pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate is Cc1cc(NC(=O)c2cccc3c2CC[C@@H]3NC(=O)OCc2ccccn2)ccc1F.
What is the InChIKey of pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is FRCUJAIMPMHLGC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-15-13-16(8-10-21(15)25)27-23(29)20-7-4-6-19-18(20)9-11-22(19)28-24(30)31-14-17-5-2-3-12-26-17/h2-8,10,12-13,22H,9,11,14H2,1H3,(H,27,29)(H,28,30)/t22-/m0/s1.
What are the key properties of pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate?
pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 419.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[(1S)-4-[(4-fluoro-3-methylphenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 142433440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).