3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide

C20H23F4N5O3 — CID 150228382

IUPAC3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1ccc(C(O)(CNC(=O)CF)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)C)n1
InChIInChI=1S/C20H23F4N5O3/c1-10(2)28-18(31)16-17(25)26-8-14(29-16)13-6-12(5-4-11(13)3)19(32,20(22,23)24)9-27-15(30)7-21/h4-6,8,10,32H,7,9H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31)
InChIKeyFUYHWLKIVAXPLR-UHFFFAOYSA-N
MW457.43 g/mol
LogP2.01
Rot. Bonds7

About 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide

3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 150228382) has the molecular formula C20H23F4N5O3 and a molecular weight of 457.43 g/mol. Its IUPAC name is 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID150228382
Molecular FormulaC20H23F4N5O3
Molecular Weight457.43 g/mol
Exact Mass457.17
IUPAC Name3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCc1ccc(C(O)(CNC(=O)CF)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)C)n1
InChIInChI=1S/C20H23F4N5O3/c1-10(2)28-18(31)16-17(25)26-8-14(29-16)13-6-12(5-4-11(13)3)19(32,20(22,23)24)9-27-15(30)7-21/h4-6,8,10,32H,7,9H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31)
InChIKeyFUYHWLKIVAXPLR-UHFFFAOYSA-N
XLogP2.01
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide (CID 150228382) is 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide is Cc1ccc(C(O)(CNC(=O)CF)C(F)(F)F)cc1-c1cnc(N)c(C(=O)NC(C)C)n1.
What is the InChIKey of 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is FUYHWLKIVAXPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N5O3/c1-10(2)28-18(31)16-17(25)26-8-14(29-16)13-6-12(5-4-11(13)3)19(32,20(22,23)24)9-27-15(30)7-21/h4-6,8,10,32H,7,9H2,1-3H3,(H2,25,26)(H,27,30)(H,28,31).
What are the key properties of 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide?
3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 457.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-methyl-5-[1,1,1-trifluoro-3-[(2-fluoroacetyl)amino]-2-hydroxypropan-2-yl]phenyl]-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 150228382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).