[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C18H18ClFN6O3 — CID 166130403

IUPAC[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCOCc1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cc(F)cnc2Cl)nc1
InChIInChI=1S/C18H18ClFN6O3/c1-10(13-6-12(20)8-22-16(13)19)29-18(27)23-17-15(24-25-26(17)2)14-5-4-11(7-21-14)9-28-3/h4-8,10H,9H2,1-3H3,(H,23,27)/t10-/m1/s1
InChIKeyHIVLAAWZGAPULV-SNVBAGLBSA-N
MW420.83 g/mol
LogP3.52
Rot. Bonds6

About [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 166130403) has the molecular formula C18H18ClFN6O3 and a molecular weight of 420.83 g/mol. Its IUPAC name is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
PubChem CID166130403
Molecular FormulaC18H18ClFN6O3
Molecular Weight420.83 g/mol
Exact Mass420.11
IUPAC Name[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCOCc1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cc(F)cnc2Cl)nc1
InChIInChI=1S/C18H18ClFN6O3/c1-10(13-6-12(20)8-22-16(13)19)29-18(27)23-17-15(24-25-26(17)2)14-5-4-11(7-21-14)9-28-3/h4-8,10H,9H2,1-3H3,(H,23,27)/t10-/m1/s1
InChIKeyHIVLAAWZGAPULV-SNVBAGLBSA-N
XLogP3.52
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-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-chloro-3-pyridinyl)ethyl] N-[5-[5-[(1-fluoro-3-hydroxycyclobutanecarbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377488
[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]pyrimidin-2-yl]-3-methyltriazol-4-yl]carbamate
CID 162377489
Preparation of (R)-1-(2-chloropyridin-3-yl)ethyl (4-(5-acetamido-4-fluoropyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl)carbamate
CID 162377501
Preparation of (R)-1-(2-chloropyridin-3-yl)ethyl (4-(5-(1-cyano-3,3-difluorocyclobutane-1-carboxamido)pyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl)carbamate
CID 162377509
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[(2,2-difluorospiro[3.3]heptane-6-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377535
[(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-chloro-3-pyridinyl)ethyl] N-[3-methyl-5-[5-[[3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
CID 162377537
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377540
[(1R)-1-(2-fluoro-3-pyridinyl)ethyl] N-[5-[5-[(1-cyanocyclopropanecarbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377558
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[5-[5-[(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377560
[(1R)-1-(2-chloro-3-pyridinyl)ethyl] N-[5-[5-[[1-(difluoromethyl)-3,3-difluorocyclobutanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 162377568
Preparation of (R)-1-(2-chloropyridin-3-yl)ethyl (4-(5-(1-cyanocyclopropane-1-carboxamido)-6-fluoropyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl)carbamate
CID 162377578

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 166130403) is [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is COCc1ccc(-c2nnn(C)c2NC(=O)O[C@H](C)c2cc(F)cnc2Cl)nc1.
What is the InChIKey of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The InChIKey is HIVLAAWZGAPULV-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18ClFN6O3/c1-10(13-6-12(20)8-22-16(13)19)29-18(27)23-17-15(24-25-26(17)2)14-5-4-11(7-21-14)9-28-3/h4-8,10H,9H2,1-3H3,(H,23,27)/t10-/m1/s1.
What are the key properties of [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 420.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 166130403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).