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

C18H20FN7O4S — CID 159815693

IUPAC[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCc1cc([C@@H](C)OC(=O)Nc2c(-c3ccc(NS(C)(=O)=O)cn3)nnn2C)c(F)cn1
InChIInChI=1S/C18H20FN7O4S/c1-10-7-13(14(19)9-20-10)11(2)30-18(27)22-17-16(23-25-26(17)3)15-6-5-12(8-21-15)24-31(4,28)29/h5-9,11,24H,1-4H3,(H,22,27)/t11-/m1/s1
InChIKeyCSMPTSYPGMSWFA-LLVKDONJSA-N
MW449.47 g/mol
LogP2.40
Rot. Bonds6

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

[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 159815693) has the molecular formula C18H20FN7O4S and a molecular weight of 449.47 g/mol. Its IUPAC name is [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
PubChem CID159815693
Molecular FormulaC18H20FN7O4S
Molecular Weight449.47 g/mol
Exact Mass449.13
IUPAC Name[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
SMILESCc1cc([C@@H](C)OC(=O)Nc2c(-c3ccc(NS(C)(=O)=O)cn3)nnn2C)c(F)cn1
InChIInChI=1S/C18H20FN7O4S/c1-10-7-13(14(19)9-20-10)11(2)30-18(27)22-17-16(23-25-26(17)3)15-6-5-12(8-21-15)24-31(4,28)29/h5-9,11,24H,1-4H3,(H,22,27)/t11-/m1/s1
InChIKeyCSMPTSYPGMSWFA-LLVKDONJSA-N
XLogP2.40
TPSA140.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 159815693) is [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is Cc1cc([C@@H](C)OC(=O)Nc2c(-c3ccc(NS(C)(=O)=O)cn3)nnn2C)c(F)cn1.
What is the InChIKey of [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
The InChIKey is CSMPTSYPGMSWFA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20FN7O4S/c1-10-7-13(14(19)9-20-10)11(2)30-18(27)22-17-16(23-25-26(17)3)15-6-5-12(8-21-15)24-31(4,28)29/h5-9,11,24H,1-4H3,(H,22,27)/t11-/m1/s1.
What are the key properties of [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?
[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 449.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 159815693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).