[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate

C23H26ClN7O3 — CID 170047924

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
SMILESC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)nc2)C1
InChIInChI=1S/C23H26ClN7O3/c1-14-10-11-31(13-14)22(32)26-16-8-9-19(25-12-16)20-21(30(3)29-28-20)27-23(33)34-15(2)17-6-4-5-7-18(17)24/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,26,32)(H,27,33)/t14-,15-/m1/s1
InChIKeyBSWHJOSXZXATQJ-HUUCEWRRSA-N
MW483.96 g/mol
LogP4.71
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate (PubChem CID 170047924) has the molecular formula C23H26ClN7O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
PubChem CID170047924
Molecular FormulaC23H26ClN7O3
Molecular Weight483.96 g/mol
Exact Mass483.18
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
SMILESC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)nc2)C1
InChIInChI=1S/C23H26ClN7O3/c1-14-10-11-31(13-14)22(32)26-16-8-9-19(25-12-16)20-21(30(3)29-28-20)27-23(33)34-15(2)17-6-4-5-7-18(17)24/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,26,32)(H,27,33)/t14-,15-/m1/s1
InChIKeyBSWHJOSXZXATQJ-HUUCEWRRSA-N
XLogP4.71
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-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

tert-butyl N-[6-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate
CID 162377995
[(1R)-1-(2-chlorophenyl)ethyl] N-[5-[5-[(1-cyano-3-hydroxycyclobutanecarbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 170047835
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-(5-acetamido-2-pyridinyl)-3-methyltriazol-4-yl]carbamate
CID 162377937
1-(2-chloro-3-pyridinyl)ethyl N-[5-[5-(1,3-dioxolane-2-carbonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162378006
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[[3-hydroxy-3-(trifluoromethyl)cyclobutanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377738
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexane-6-carbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 163901638
1-(2-chloro-3-pyridinyl)ethyl N-[5-[5-[(2-cyanocyclopropanecarbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377801
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(2-chloropyridine-4-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377922
6-[5-[1-(2-chloro-3-pyridinyl)ethoxycarbonylamino]-1-methyltriazol-4-yl]pyridine-3-carboxylic acid
CID 174227827
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
CID 162378011
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[[1-(fluoromethyl)cyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377536
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-[5-[(2-chloropyridine-4-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377817

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate (CID 170047924) is [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate is C[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn(C)c3NC(=O)O[C@H](C)c3ccccc3Cl)nc2)C1.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate?
The InChIKey is BSWHJOSXZXATQJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C23H26ClN7O3/c1-14-10-11-31(13-14)22(32)26-16-8-9-19(25-12-16)20-21(30(3)29-28-20)27-23(33)34-15(2)17-6-4-5-7-18(17)24/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,26,32)(H,27,33)/t14-,15-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate?
[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate has a molecular weight of 483.96 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate is sourced from PubChem (CID 170047924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).