(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide

C30H28FN5O2 — CID 58581554

IUPAC(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ncc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H28FN5O2/c1-4-19(2)29(37)34-28-30(38)36(27(16-33-28)22-8-6-5-7-9-22)18-21-12-24(15-32-14-21)35-17-20(3)25-13-23(31)10-11-26(25)35/h5-17,19H,4,18H2,1-3H3,(H,33,34,37)/t19-/m1/s1
InChIKeyUSUJCWAETAYTHV-LJQANCHMSA-N
MW509.59 g/mol
LogP5.73
Rot. Bonds7

About (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide

(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide (PubChem CID 58581554) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide
PubChem CID58581554
Molecular FormulaC30H28FN5O2
Molecular Weight509.59 g/mol
Exact Mass509.22
IUPAC Name(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ncc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H28FN5O2/c1-4-19(2)29(37)34-28-30(38)36(27(16-33-28)22-8-6-5-7-9-22)18-21-12-24(15-32-14-21)35-17-20(3)25-13-23(31)10-11-26(25)35/h5-17,19H,4,18H2,1-3H3,(H,33,34,37)/t19-/m1/s1
InChIKeyUSUJCWAETAYTHV-LJQANCHMSA-N
XLogP5.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide (CID 58581554) is (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ncc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O.
What is the InChIKey of (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide?
The InChIKey is USUJCWAETAYTHV-LJQANCHMSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-4-19(2)29(37)34-28-30(38)36(27(16-33-28)22-8-6-5-7-9-22)18-21-12-24(15-32-14-21)35-17-20(3)25-13-23(31)10-11-26(25)35/h5-17,19H,4,18H2,1-3H3,(H,33,34,37)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide?
(2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide has a molecular weight of 509.59 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-3-oxo-5-phenylpyrazin-2-yl]-2-methylbutanamide is sourced from PubChem (CID 58581554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).