[(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C21H20F3N7O3 — CID 162377965

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

[(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 162377965) has the molecular formula C21H20F3N7O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• PubChem CID: 162377965
• Molecular Formula: C21H20F3N7O3
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.16
• IUPAC Name: [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• SMILES: Cc1ncc(F)cc1[C@@H](C)OC(=O)Nc1c(-c2ccc(NC(=O)[C@@H]3CC3(F)F)cn2)nnn1C
• InChI: InChI=1S/C21H20F3N7O3/c1-10-14(6-12(22)8-25-10)11(2)34-20(33)28-18-17(29-30-31(18)3)16-5-4-13(9-26-16)27-19(32)15-7-21(15,23)24/h4-6,8-9,11,15H,7H2,1-3H3,(H,27,32)(H,28,33)/t11-,15+/m1/s1
• InChIKey: HSVRMTYGCWPTDA-ABAIWWIYSA-N
• XLogP: 3.62
• TPSA: 123.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The IUPAC name of [(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) is [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is Cc1ncc(F)cc1[C@@H](C)OC(=O)Nc1c(-c2ccc(NC(=O)[C@@H]3CC3(F)F)cn2)nnn1C.

What is the InChIKey of [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The InChIKey is HSVRMTYGCWPTDA-ABAIWWIYSA-N. The full InChI is InChI=1S/C21H20F3N7O3/c1-10-14(6-12(22)8-25-10)11(2)34-20(33)28-18-17(29-30-31(18)3)16-5-4-13(9-26-16)27-19(32)15-7-21(15,23)24/h4-6,8-9,11,15H,7H2,1-3H3,(H,27,32)(H,28,33)/t11-,15+/m1/s1.

What are the key properties of [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

[(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 475.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(5-fluoro-2-methyl-3-pyridinyl)ethyl] N-[5-[5-[[(1S)-2,2-difluorocyclopropanecarbonyl]amino]-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 162377965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).