N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide

C27H30F2N4O2 — CID 69298752

About N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide

N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide (PubChem CID 69298752) has the molecular formula C27H30F2N4O2 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 69298752
• Molecular Formula: C27H30F2N4O2
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.23
• IUPAC Name: N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide
• SMILES: CCc1ccc2c(c1)[C@@H](NC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cnccn1)CCC2
• InChI: InChI=1S/C27H30F2N4O2/c1-2-17-6-7-19-4-3-5-23(22(19)12-17)32-16-26(34)24(13-18-10-20(28)14-21(29)11-18)33-27(35)25-15-30-8-9-31-25/h6-12,14-15,23-24,26,32,34H,2-5,13,16H2,1H3,(H,33,35)/t23-,24-,26-/m0/s1
• InChIKey: HJTSFUXKJNQXLA-GNKBHMEESA-N
• XLogP: 3.69
• TPSA: 87.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide (CID 69298752) is N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide is CCc1ccc2c(c1)[C@@H](NC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cnccn1)CCC2.

What is the InChIKey of N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide?

The InChIKey is HJTSFUXKJNQXLA-GNKBHMEESA-N. The full InChI is InChI=1S/C27H30F2N4O2/c1-2-17-6-7-19-4-3-5-23(22(19)12-17)32-16-26(34)24(13-18-10-20(28)14-21(29)11-18)33-27(35)25-15-30-8-9-31-25/h6-12,14-15,23-24,26,32,34H,2-5,13,16H2,1H3,(H,33,35)/t23-,24-,26-/m0/s1.

What are the key properties of N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide?

N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 69298752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).