N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine

C23H21FN6 — CID 58521777

IUPACN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
SMILESC[C@H](Cc1cc(Nc2cnccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN6/c1-16(17-2-4-18(24)5-3-17)10-19-11-21(30-23-15-26-7-9-28-23)12-20(29-19)13-22-14-25-6-8-27-22/h2-9,11-12,14-16H,10,13H2,1H3,(H,28,29,30)/t16-/m1/s1
InChIKeyNMDPIOJHZUYPAF-MRXNPFEDSA-N
MW400.46 g/mol
LogP4.48
Rot. Bonds7

About N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine

N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine (PubChem CID 58521777) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
PubChem CID58521777
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC NameN-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
SMILESC[C@H](Cc1cc(Nc2cnccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN6/c1-16(17-2-4-18(24)5-3-17)10-19-11-21(30-23-15-26-7-9-28-23)12-20(29-19)13-22-14-25-6-8-27-22/h2-9,11-12,14-16H,10,13H2,1H3,(H,28,29,30)/t16-/m1/s1
InChIKeyNMDPIOJHZUYPAF-MRXNPFEDSA-N
XLogP4.48
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine (CID 58521777) is N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine is C[C@H](Cc1cc(Nc2cnccn2)cc(Cc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine?
The InChIKey is NMDPIOJHZUYPAF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21FN6/c1-16(17-2-4-18(24)5-3-17)10-19-11-21(30-23-15-26-7-9-28-23)12-20(29-19)13-22-14-25-6-8-27-22/h2-9,11-12,14-16H,10,13H2,1H3,(H,28,29,30)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine?
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 58521777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).