2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

C17H18FN5O2 — CID 6711493

IUPAC2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESC[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c1ccccc1
InChIInChI=1S/C17H18FN5O2/c1-10-14(11-5-3-2-4-6-11)23-15-12(20-10)9-13(21-16(15)19)22-17(24)25-8-7-18/h2-6,9-10,20H,7-8H2,1H3,(H3,19,21,22,24)/t10-/m0/s1
InChIKeyYFKQDZTZKVBBMQ-JTQLQIEISA-N
MW343.36 g/mol
LogP3.12
Rot. Bonds4

About 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate

2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (PubChem CID 6711493) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
PubChem CID6711493
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
SMILESC[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c1ccccc1
InChIInChI=1S/C17H18FN5O2/c1-10-14(11-5-3-2-4-6-11)23-15-12(20-10)9-13(21-16(15)19)22-17(24)25-8-7-18/h2-6,9-10,20H,7-8H2,1H3,(H3,19,21,22,24)/t10-/m0/s1
InChIKeyYFKQDZTZKVBBMQ-JTQLQIEISA-N
XLogP3.12
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (CID 6711493) is 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is C[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c1ccccc1.
What is the InChIKey of 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
The InChIKey is YFKQDZTZKVBBMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10-14(11-5-3-2-4-6-11)23-15-12(20-10)9-13(21-16(15)19)22-17(24)25-8-7-18/h2-6,9-10,20H,7-8H2,1H3,(H3,19,21,22,24)/t10-/m0/s1.
What are the key properties of 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate?
2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate has a molecular weight of 343.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate is sourced from PubChem (CID 6711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).