[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C21H23FN6O3S — CID 170005009

IUPAC[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(=O)C1CC1
InChIInChI=1S/C21H23FN6O3S/c1-12-17(26-32(30)16-7-8-16)9-10-18(23-12)19-20(28(3)27-25-19)24-21(29)31-13(2)14-5-4-6-15(22)11-14/h4-6,9-11,13,16,26H,7-8H2,1-3H3,(H,24,29)/t13-,32?/m1/s1
InChIKeyRPPLOLCGVNIHKU-AOODYEMOSA-N
MW458.52 g/mol
LogP3.87
Rot. Bonds7

About [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 170005009) has the molecular formula C21H23FN6O3S and a molecular weight of 458.52 g/mol. Its IUPAC name is [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
PubChem CID170005009
Molecular FormulaC21H23FN6O3S
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(=O)C1CC1
InChIInChI=1S/C21H23FN6O3S/c1-12-17(26-32(30)16-7-8-16)9-10-18(23-12)19-20(28(3)27-25-19)24-21(29)31-13(2)14-5-4-6-15(22)11-14/h4-6,9-11,13,16,26H,7-8H2,1-3H3,(H,24,29)/t13-,32?/m1/s1
InChIKeyRPPLOLCGVNIHKU-AOODYEMOSA-N
XLogP3.87
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-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

[(1R)-1-(2-fluorophenyl)ethyl] N-[5-(5-amino-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]carbamate
CID 170081471
[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;methyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;hydrochloride
CID 167598561
tert-butyl N-[6-[5-[[(1S)-2-fluoro-1-(3-fluorophenyl)ethoxy]carbonylcarbamoyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]carbamate
CID 168835629
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-[6-methyl-5-(methylsulfamoylamino)-2-pyridinyl]triazol-4-yl]carbamate
CID 156740818
[(1R)-1-phenylethyl] N-[5-(4-bromophenyl)-3-methyltriazol-4-yl]carbamate
CID 71266457
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2-cyclopropylcyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 167301743
1-[4-[4-[1-methyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71455704
[(1R)-1-phenylethyl] N-[5-(4-chlorophenyl)-3-methyltriazol-4-yl]carbamate
CID 70819210
[(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377965
methyl 6-[5-[[(1R)-1-(2-chloro-3-pyridinyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-2-methylpyridine-3-carboxylate
CID 166130396
[(1S)-2-chloro-1-phenylethyl] N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 158828782
[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-[3-methyl-5-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamate
CID 71457481

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 170005009) is [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is Cc1nc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(=O)C1CC1.
What is the InChIKey of [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The InChIKey is RPPLOLCGVNIHKU-AOODYEMOSA-N. The full InChI is InChI=1S/C21H23FN6O3S/c1-12-17(26-32(30)16-7-8-16)9-10-18(23-12)19-20(28(3)27-25-19)24-21(29)31-13(2)14-5-4-6-15(22)11-14/h4-6,9-11,13,16,26H,7-8H2,1-3H3,(H,24,29)/t13-,32?/m1/s1.
What are the key properties of [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
[(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 458.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-fluorophenyl)ethyl] N-[5-[5-(cyclopropylsulfinylamino)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 170005009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).